4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide

C15H23N5O2 — CID 71237990

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1nc(NC2CCCOC2)ncc1C(N)=O)C1CC1
InChIInChI=1S/C15H23N5O2/c1-9(10-4-5-10)18-14-12(13(16)21)7-17-15(20-14)19-11-3-2-6-22-8-11/h7,9-11H,2-6,8H2,1H3,(H2,16,21)(H2,17,18,19,20)/t9-,11?/m1/s1
InChIKeyMPYZOYRQIFDFOR-BFHBGLAWSA-N
MW305.38 g/mol
LogP1.38
Rot. Bonds6

About 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide

4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide (PubChem CID 71237990) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide
PubChem CID71237990
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1nc(NC2CCCOC2)ncc1C(N)=O)C1CC1
InChIInChI=1S/C15H23N5O2/c1-9(10-4-5-10)18-14-12(13(16)21)7-17-15(20-14)19-11-3-2-6-22-8-11/h7,9-11H,2-6,8H2,1H3,(H2,16,21)(H2,17,18,19,20)/t9-,11?/m1/s1
InChIKeyMPYZOYRQIFDFOR-BFHBGLAWSA-N
XLogP1.38
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237412
4-[[(1R)-1-cyclobutylethyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237417
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide
CID 71237116
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
2-[(4-methoxycyclohexyl)amino]-4-[[(2S)-3-methylbutan-2-yl]amino]pyrimidine-5-carboxamide
CID 71237470
4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71236629
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71237811
4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237178
4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237177
2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
CID 115033816
4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 67087192

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide (CID 71237990) is 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide is C[C@@H](Nc1nc(NC2CCCOC2)ncc1C(N)=O)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide?
The InChIKey is MPYZOYRQIFDFOR-BFHBGLAWSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-9(10-4-5-10)18-14-12(13(16)21)7-17-15(20-14)19-11-3-2-6-22-8-11/h7,9-11H,2-6,8H2,1H3,(H2,16,21)(H2,17,18,19,20)/t9-,11?/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide?
4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 71237990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).