2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide

C14H15N5O — CID 156678006

IUPAC2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCc3cccnc3C2)nc1
InChIInChI=1S/C14H15N5O/c15-13(20)10-7-17-14(18-8-10)19-11-4-3-9-2-1-5-16-12(9)6-11/h1-2,5,7-8,11H,3-4,6H2,(H2,15,20)(H,17,18,19)/t11-/m0/s1
InChIKeyIBOHZLPTMMJJHK-NSHDSACASA-N
MW269.31 g/mol
LogP0.94
Rot. Bonds3

About 2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide

2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide (PubChem CID 156678006) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide
PubChem CID156678006
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCc3cccnc3C2)nc1
InChIInChI=1S/C14H15N5O/c15-13(20)10-7-17-14(18-8-10)19-11-4-3-9-2-1-5-16-12(9)6-11/h1-2,5,7-8,11H,3-4,6H2,(H2,15,20)(H,17,18,19)/t11-/m0/s1
InChIKeyIBOHZLPTMMJJHK-NSHDSACASA-N
XLogP0.94
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5,6,7,8-tetrahydroquinolin-7-ylamino)methanol
CID 14835920
4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide
CID 71242454
4-[[(1R,3S)-3-methylcycloheptyl]amino]-2-[[(6S)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide
CID 118375414
4-[[(1R,3S)-3-methylcycloheptyl]amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide
CID 118375410
N-(5,6,7,8-tetrahydroquinolin-7-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 70794757
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102772556
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665
5,6,7,8-tetrahydroquinolin-7-amine;hydrochloride
CID 156621052
2-(propan-2-ylamino)-6-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyridine-3-carboxamide
CID 118375397
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]methyl]pyrimidine-5-carboxamide
CID 160932588
tert-butyl N-[[4-[(5,6,7,8-tetrahydroquinolin-7-ylamino)methyl]phenyl]methyl]carbamate
CID 68900505
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
CID 83178304

Frequently Asked Questions

What is the IUPAC name of 2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide (CID 156678006) is 2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(N[C@H]2CCc3cccnc3C2)nc1.
What is the InChIKey of 2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is IBOHZLPTMMJJHK-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N5O/c15-13(20)10-7-17-14(18-8-10)19-11-4-3-9-2-1-5-16-12(9)6-11/h1-2,5,7-8,11H,3-4,6H2,(H2,15,20)(H,17,18,19)/t11-/m0/s1.
What are the key properties of 2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide?
2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 156678006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).