N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide

C21H29N5O2 — CID 45485028

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCC(Nc3nc(C)cc(N(C)C)n3)CC2)c1
InChIInChI=1S/C21H29N5O2/c1-14-12-19(26(2)3)25-21(22-14)24-17-10-8-16(9-11-17)23-20(27)15-6-5-7-18(13-15)28-4/h5-7,12-13,16-17H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)
InChIKeyGUYUEXAJPOSFAC-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.01
Rot. Bonds6

About N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide (PubChem CID 45485028) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide
PubChem CID45485028
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCC(Nc3nc(C)cc(N(C)C)n3)CC2)c1
InChIInChI=1S/C21H29N5O2/c1-14-12-19(26(2)3)25-21(22-14)24-17-10-8-16(9-11-17)23-20(27)15-6-5-7-18(13-15)28-4/h5-7,12-13,16-17H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)
InChIKeyGUYUEXAJPOSFAC-UHFFFAOYSA-N
XLogP3.01
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide with MolForge

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Related Compounds

(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
CID 15987793
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
CID 585532
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
N'-(4,6-Dimethyl-2-pyrimidinyl)-3-methoxybenzohydrazide
CID 585625
3-Methoxyphenyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 3238602
4-Methoxy-N-(6-phenyl-pyrimidin-4-yl)-benzamide
CID 10709706
1-Ethyl-3-(3-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl]-phenyl)-urea
CID 11495480
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11639248

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide (CID 45485028) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCC(Nc3nc(C)cc(N(C)C)n3)CC2)c1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide?
The InChIKey is GUYUEXAJPOSFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-14-12-19(26(2)3)25-21(22-14)24-17-10-8-16(9-11-17)23-20(27)15-6-5-7-18(13-15)28-4/h5-7,12-13,16-17H,8-11H2,1-4H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide has a molecular weight of 383.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methoxybenzamide is sourced from PubChem (CID 45485028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).