4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide

C17H25N5O2 — CID 71237116

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1nc(NC23CCC(O)(CC2)C3)ncc1C(N)=O)C1CC1
InChIInChI=1S/C17H25N5O2/c1-10(11-2-3-11)20-14-12(13(18)23)8-19-15(21-14)22-16-4-6-17(24,9-16)7-5-16/h8,10-11,24H,2-7,9H2,1H3,(H2,18,23)(H2,19,20,21,22)/t10-,16?,17?/m1/s1
InChIKeyPQTPWKMVVOQPAZ-OSWGYVBTSA-N
MW331.42 g/mol
LogP1.65
Rot. Bonds6

About 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide

4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide (PubChem CID 71237116) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide
PubChem CID71237116
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1nc(NC23CCC(O)(CC2)C3)ncc1C(N)=O)C1CC1
InChIInChI=1S/C17H25N5O2/c1-10(11-2-3-11)20-14-12(13(18)23)8-19-15(21-14)22-16-4-6-17(24,9-16)7-5-16/h8,10-11,24H,2-7,9H2,1H3,(H2,18,23)(H2,19,20,21,22)/t10-,16?,17?/m1/s1
InChIKeyPQTPWKMVVOQPAZ-OSWGYVBTSA-N
XLogP1.65
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide (CID 71237116) is 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide is C[C@@H](Nc1nc(NC23CCC(O)(CC2)C3)ncc1C(N)=O)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide?
The InChIKey is PQTPWKMVVOQPAZ-OSWGYVBTSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10(11-2-3-11)20-14-12(13(18)23)8-19-15(21-14)22-16-4-6-17(24,9-16)7-5-16/h8,10-11,24H,2-7,9H2,1H3,(H2,18,23)(H2,19,20,21,22)/t10-,16?,17?/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide?
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).