6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine

C22H24N10O2 — CID 88583389

IUPAC6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine
SMILESNc1nc(NCCNc2nc(-c3ccc(N4CCOCC4)nc3)cc3nccn23)ccc1N=O
InChIInChI=1S/C22H24N10O2/c23-21-16(30-33)2-3-18(29-21)24-5-6-26-22-28-17(13-20-25-7-8-32(20)22)15-1-4-19(27-14-15)31-9-11-34-12-10-31/h1-4,7-8,13-14H,5-6,9-12H2,(H,26,28)(H3,23,24,29)
InChIKeyDJXBWLXBIBKISZ-UHFFFAOYSA-N
MW460.50 g/mol
LogP2.53
Rot. Bonds8

About 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine

6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine (PubChem CID 88583389) has the molecular formula C22H24N10O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine
PubChem CID88583389
Molecular FormulaC22H24N10O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC Name6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine
SMILESNc1nc(NCCNc2nc(-c3ccc(N4CCOCC4)nc3)cc3nccn23)ccc1N=O
InChIInChI=1S/C22H24N10O2/c23-21-16(30-33)2-3-18(29-21)24-5-6-26-22-28-17(13-20-25-7-8-32(20)22)15-1-4-19(27-14-15)31-9-11-34-12-10-31/h1-4,7-8,13-14H,5-6,9-12H2,(H,26,28)(H3,23,24,29)
InChIKeyDJXBWLXBIBKISZ-UHFFFAOYSA-N
XLogP2.53
TPSA147.95 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine with MolForge

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Related Compounds

3-nitroso-6-N-[2-[[7-(3-pyrrolidin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,6-diamine
CID 88948157
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid
CID 157116367
1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone
CID 59313115
7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
CID 11014315
6-N-[2-[[7-(5-chloro-2-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59313135
6-N-[2-[[7-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59313158
5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 10005239
5-[2-morpholin-4-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]pyridin-2-amine
CID 59507463
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 147713752
3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine
CID 90435597
N-(morpholin-2-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66555381
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine?
The IUPAC name of 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine (CID 88583389) is 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine is Nc1nc(NCCNc2nc(-c3ccc(N4CCOCC4)nc3)cc3nccn23)ccc1N=O.
What is the InChIKey of 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine?
The InChIKey is DJXBWLXBIBKISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10O2/c23-21-16(30-33)2-3-18(29-21)24-5-6-26-22-28-17(13-20-25-7-8-32(20)22)15-1-4-19(27-14-15)31-9-11-34-12-10-31/h1-4,7-8,13-14H,5-6,9-12H2,(H,26,28)(H3,23,24,29).
What are the key properties of 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine?
6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine has a molecular weight of 460.50 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[[7-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitrosopyridine-2,6-diamine is sourced from PubChem (CID 88583389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).