4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide

C18H29N5O3 — CID 78044523

IUPAC4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide
SMILESCOCC1CCC(Nc2ncc(C(N)=O)c(NC3CCC(O)C3)n2)CC1
InChIInChI=1S/C18H29N5O3/c1-26-10-11-2-4-12(5-3-11)22-18-20-9-15(16(19)25)17(23-18)21-13-6-7-14(24)8-13/h9,11-14,24H,2-8,10H2,1H3,(H2,19,25)(H2,20,21,22,23)
InChIKeyCQQNGDRDYSWZPJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.52
Rot. Bonds7

About 4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide

4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 78044523) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide
PubChem CID78044523
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide
SMILESCOCC1CCC(Nc2ncc(C(N)=O)c(NC3CCC(O)C3)n2)CC1
InChIInChI=1S/C18H29N5O3/c1-26-10-11-2-4-12(5-3-11)22-18-20-9-15(16(19)25)17(23-18)21-13-6-7-14(24)8-13/h9,11-14,24H,2-8,10H2,1H3,(H2,19,25)(H2,20,21,22,23)
InChIKeyCQQNGDRDYSWZPJ-UHFFFAOYSA-N
XLogP1.52
TPSA122.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 66576165
2-[[4-(difluoromethoxy)cyclohexyl]amino]-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 78044372
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
2-[[4-(dimethylcarbamoyl)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66575841
4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 130441517
2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 71242409
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
tert-butyl N-[4-[[5-carbamoyl-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidin-2-yl]amino]cyclohexyl]-N-methylcarbamate
CID 118373031
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide (CID 78044523) is 4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide is COCC1CCC(Nc2ncc(C(N)=O)c(NC3CCC(O)C3)n2)CC1.
What is the InChIKey of 4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide?
The InChIKey is CQQNGDRDYSWZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-26-10-11-2-4-12(5-3-11)22-18-20-9-15(16(19)25)17(23-18)21-13-6-7-14(24)8-13/h9,11-14,24H,2-8,10H2,1H3,(H2,19,25)(H2,20,21,22,23).
What are the key properties of 4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide?
4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.52, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 78044523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).