2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide

C20H32N6O3 — CID 66576165

IUPAC2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCC(C)CC(=O)N1CCC(Nc2nc(N[C@@H]3CC[C@H](O)C3)ncc2C(N)=O)CC1
InChIInChI=1S/C20H32N6O3/c1-12(2)9-17(28)26-7-5-13(6-8-26)23-19-16(18(21)29)11-22-20(25-19)24-14-3-4-15(27)10-14/h11-15,27H,3-10H2,1-2H3,(H2,21,29)(H2,22,23,24,25)/t14-,15+/m1/s1
InChIKeyUGYKWSAMASUOMB-CABCVRRESA-N
MW404.52 g/mol
LogP1.35
Rot. Bonds7

About 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide

2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 66576165) has the molecular formula C20H32N6O3 and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID66576165
Molecular FormulaC20H32N6O3
Molecular Weight404.52 g/mol
Exact Mass404.25
IUPAC Name2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCC(C)CC(=O)N1CCC(Nc2nc(N[C@@H]3CC[C@H](O)C3)ncc2C(N)=O)CC1
InChIInChI=1S/C20H32N6O3/c1-12(2)9-17(28)26-7-5-13(6-8-26)23-19-16(18(21)29)11-22-20(25-19)24-14-3-4-15(27)10-14/h11-15,27H,3-10H2,1-2H3,(H2,21,29)(H2,22,23,24,25)/t14-,15+/m1/s1
InChIKeyUGYKWSAMASUOMB-CABCVRRESA-N
XLogP1.35
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide
CID 78044523
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
2-[[4-(difluoromethoxy)cyclohexyl]amino]-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 78044372
2-[[4-(dimethylcarbamoyl)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66575841
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237412
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
2-[(4-hydroxycyclohexyl)amino]-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 71237270
1-[4-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
CID 134700480
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 130441517
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71237811

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 66576165) is 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide is CC(C)CC(=O)N1CCC(Nc2nc(N[C@@H]3CC[C@H](O)C3)ncc2C(N)=O)CC1.
What is the InChIKey of 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is UGYKWSAMASUOMB-CABCVRRESA-N. The full InChI is InChI=1S/C20H32N6O3/c1-12(2)9-17(28)26-7-5-13(6-8-26)23-19-16(18(21)29)11-22-20(25-19)24-14-3-4-15(27)10-14/h11-15,27H,3-10H2,1-2H3,(H2,21,29)(H2,22,23,24,25)/t14-,15+/m1/s1.
What are the key properties of 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 1.35, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3S)-3-hydroxycyclopentyl]amino]-4-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 66576165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).