4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide

C15H17N5O — CID 138035324

IUPAC4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)c(N)n1
InChIInChI=1S/C15H17N5O/c1-9-18-8-13(14(16)20-9)15(21)19-7-11-5-12(11)10-3-2-4-17-6-10/h2-4,6,8,11-12H,5,7H2,1H3,(H,19,21)(H2,16,18,20)/t11-,12-/m0/s1
InChIKeyCKVKEANFSIEHFT-RYUDHWBXSA-N
MW283.34 g/mol
LogP1.30
Rot. Bonds4

About 4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide

4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide (PubChem CID 138035324) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide
PubChem CID138035324
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)c(N)n1
InChIInChI=1S/C15H17N5O/c1-9-18-8-13(14(16)20-9)15(21)19-7-11-5-12(11)10-3-2-4-17-6-10/h2-4,6,8,11-12H,5,7H2,1H3,(H,19,21)(H2,16,18,20)/t11-,12-/m0/s1
InChIKeyCKVKEANFSIEHFT-RYUDHWBXSA-N
XLogP1.30
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide (CID 138035324) is 4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)c(N)n1.
What is the InChIKey of 4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is CKVKEANFSIEHFT-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-18-8-13(14(16)20-9)15(21)19-7-11-5-12(11)10-3-2-4-17-6-10/h2-4,6,8,11-12H,5,7H2,1H3,(H,19,21)(H2,16,18,20)/t11-,12-/m0/s1.
What are the key properties of 4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide?
4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 283.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[[(1R,2R)-2-pyridin-3-ylcyclopropyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 138035324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).