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

C18H23N5O — CID 100652315

IUPAC4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide
SMILESCC(C)CN(C(=O)c1cncnc1N)[C@H]1CCCc2cccnc21
InChIInChI=1S/C18H23N5O/c1-12(2)10-23(18(24)14-9-20-11-22-17(14)19)15-7-3-5-13-6-4-8-21-16(13)15/h4,6,8-9,11-12,15H,3,5,7,10H2,1-2H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyDHPHDGKCJLBGQX-HNNXBMFYSA-N
MW325.42 g/mol
LogP2.63
Rot. Bonds4

About 4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide

4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide (PubChem CID 100652315) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide
PubChem CID100652315
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide
SMILESCC(C)CN(C(=O)c1cncnc1N)[C@H]1CCCc2cccnc21
InChIInChI=1S/C18H23N5O/c1-12(2)10-23(18(24)14-9-20-11-22-17(14)19)15-7-3-5-13-6-4-8-21-16(13)15/h4,6,8-9,11-12,15H,3,5,7,10H2,1-2H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyDHPHDGKCJLBGQX-HNNXBMFYSA-N
XLogP2.63
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904819
N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853623
2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 97258354
N-(2-methoxyethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-ynamide
CID 146083735
4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide
CID 138035150
N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide
CID 171501600
5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120904816
5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide
CID 126817414
N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide
CID 124863244
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
N-(5,6,7,8-tetrahydroquinolin-8-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 122138613

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide (CID 100652315) is 4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide is CC(C)CN(C(=O)c1cncnc1N)[C@H]1CCCc2cccnc21.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide?
The InChIKey is DHPHDGKCJLBGQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12(2)10-23(18(24)14-9-20-11-22-17(14)19)15-7-3-5-13-6-4-8-21-16(13)15/h4,6,8-9,11-12,15H,3,5,7,10H2,1-2H3,(H2,19,20,22)/t15-/m0/s1.
What are the key properties of 4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide?
4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 100652315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).