2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline

C21H29N5O2 — CID 159199364

IUPAC2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline
SMILESNC(=O)c1cnc(N)nc1CC1CCCC(O)C1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C12H18N4O2.C9H11N/c13-11(18)9-6-15-12(14)16-10(9)5-7-2-1-3-8(17)4-7;1-2-6-9-8(4-1)5-3-7-10-9/h6-8,17H,1-5H2,(H2,13,18)(H2,14,15,16);3,5,7H,1-2,4,6H2
InChIKeyKPBVAXUPOLFNDV-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.21
Rot. Bonds3

About 2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline

2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline (PubChem CID 159199364) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline
PubChem CID159199364
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline
SMILESNC(=O)c1cnc(N)nc1CC1CCCC(O)C1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C12H18N4O2.C9H11N/c13-11(18)9-6-15-12(14)16-10(9)5-7-2-1-3-8(17)4-7;1-2-6-9-8(4-1)5-3-7-10-9/h6-8,17H,1-5H2,(H2,13,18)(H2,14,15,16);3,5,7H,1-2,4,6H2
InChIKeyKPBVAXUPOLFNDV-UHFFFAOYSA-N
XLogP2.21
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 149008951
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]methyl]pyrimidine-5-carboxamide
CID 160932588
2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 162160086
12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 175984451
2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane
CID 162141687
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
bis(but-2-enedioic acid);5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 163858481
azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 175101128
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene
CID 118642189
2-[(3-hydroxycyclohexyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106137616
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline (CID 159199364) is 2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline is NC(=O)c1cnc(N)nc1CC1CCCC(O)C1.c1cnc2c(c1)CCCC2.
What is the InChIKey of 2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline?
The InChIKey is KPBVAXUPOLFNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.C9H11N/c13-11(18)9-6-15-12(14)16-10(9)5-7-2-1-3-8(17)4-7;1-2-6-9-8(4-1)5-3-7-10-9/h6-8,17H,1-5H2,(H2,13,18)(H2,14,15,16);3,5,7H,1-2,4,6H2.
What are the key properties of 2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline?
2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline has a molecular weight of 383.50 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 159199364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).