6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine

C17H21ClN4O — CID 67043538

IUPAC6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
SMILESC[C@H](Nc1ccc(Cl)c(-c2ccnc(N)c2)n1)C1CCOCC1
InChIInChI=1S/C17H21ClN4O/c1-11(12-5-8-23-9-6-12)21-16-3-2-14(18)17(22-16)13-4-7-20-15(19)10-13/h2-4,7,10-12H,5-6,8-9H2,1H3,(H2,19,20)(H,21,22)/t11-/m0/s1
InChIKeyUFSGHURVVFEPED-NSHDSACASA-N
MW332.84 g/mol
LogP3.61
Rot. Bonds4

About 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine

6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine (PubChem CID 67043538) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
PubChem CID67043538
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
SMILESC[C@H](Nc1ccc(Cl)c(-c2ccnc(N)c2)n1)C1CCOCC1
InChIInChI=1S/C17H21ClN4O/c1-11(12-5-8-23-9-6-12)21-16-3-2-14(18)17(22-16)13-4-7-20-15(19)10-13/h2-4,7,10-12H,5-6,8-9H2,1H3,(H2,19,20)(H,21,22)/t11-/m0/s1
InChIKeyUFSGHURVVFEPED-NSHDSACASA-N
XLogP3.61
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 123747453
6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine
CID 114115082
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408
2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
CID 103768427
6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 141285797
6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine
CID 103768470
methyl (3S)-3-[[5-chloro-4-[3-chloro-6-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-pyridinyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67222785
4-chloro-5-fluoro-1-N-[1-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 114115081
1-(3,4-dichlorophenyl)-N-[1-(oxan-4-yl)ethyl]propan-1-amine
CID 103788853
4-N-[1-(oxan-4-yl)ethyl]benzene-1,2,4-triamine
CID 114115072
4-bromo-1-N-[1-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 89287580
5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114115361

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine (CID 67043538) is 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine is C[C@H](Nc1ccc(Cl)c(-c2ccnc(N)c2)n1)C1CCOCC1.
What is the InChIKey of 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine?
The InChIKey is UFSGHURVVFEPED-NSHDSACASA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11(12-5-8-23-9-6-12)21-16-3-2-14(18)17(22-16)13-4-7-20-15(19)10-13/h2-4,7,10-12H,5-6,8-9H2,1H3,(H2,19,20)(H,21,22)/t11-/m0/s1.
What are the key properties of 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine?
6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine has a molecular weight of 332.84 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 67043538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).