2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine

C14H21N7O — CID 142845392

IUPAC2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCN2CCOCC2)cc(Nc2ccn[nH]2)n1
InChIInChI=1S/C14H21N7O/c1-11-17-13(15-4-5-21-6-8-22-9-7-21)10-14(18-11)19-12-2-3-16-20-12/h2-3,10H,4-9H2,1H3,(H3,15,16,17,18,19,20)
InChIKeyBEDSNFOYCPJUGY-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.00
Rot. Bonds6

About 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine

2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine (PubChem CID 142845392) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine
PubChem CID142845392
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCN2CCOCC2)cc(Nc2ccn[nH]2)n1
InChIInChI=1S/C14H21N7O/c1-11-17-13(15-4-5-21-6-8-22-9-7-21)10-14(18-11)19-12-2-3-16-20-12/h2-3,10H,4-9H2,1H3,(H3,15,16,17,18,19,20)
InChIKeyBEDSNFOYCPJUGY-UHFFFAOYSA-N
XLogP1.00
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112870386
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869998
N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426
4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 117093770
4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine
CID 91499361
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
6-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112913144
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913193
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366400
2-cyclopropyl-6-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80956267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine (CID 142845392) is 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine is Cc1nc(NCCN2CCOCC2)cc(Nc2ccn[nH]2)n1.
What is the InChIKey of 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine?
The InChIKey is BEDSNFOYCPJUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-11-17-13(15-4-5-21-6-8-22-9-7-21)10-14(18-11)19-12-2-3-16-20-12/h2-3,10H,4-9H2,1H3,(H3,15,16,17,18,19,20).
What are the key properties of 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine?
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine has a molecular weight of 303.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 142845392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).