2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide

C16H25N5O2 — CID 71242409

IUPAC2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide
SMILESC[C@@H]1CCC(Nc2nc(NCC3CC3)ncc2C(N)=O)C[C@H]1O
InChIInChI=1S/C16H25N5O2/c1-9-2-5-11(6-13(9)22)20-15-12(14(17)23)8-19-16(21-15)18-7-10-3-4-10/h8-11,13,22H,2-7H2,1H3,(H2,17,23)(H2,18,19,20,21)/t9-,11?,13-/m1/s1
InChIKeyDWGDRWBUHHKLMT-QSOGALPCSA-N
MW319.41 g/mol
LogP1.36
Rot. Bonds6

About 2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide

2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 71242409) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide
PubChem CID71242409
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide
SMILESC[C@@H]1CCC(Nc2nc(NCC3CC3)ncc2C(N)=O)C[C@H]1O
InChIInChI=1S/C16H25N5O2/c1-9-2-5-11(6-13(9)22)20-15-12(14(17)23)8-19-16(21-15)18-7-10-3-4-10/h8-11,13,22H,2-7H2,1H3,(H2,17,23)(H2,18,19,20,21)/t9-,11?,13-/m1/s1
InChIKeyDWGDRWBUHHKLMT-QSOGALPCSA-N
XLogP1.36
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide (CID 71242409) is 2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide is C[C@@H]1CCC(Nc2nc(NCC3CC3)ncc2C(N)=O)C[C@H]1O.
What is the InChIKey of 2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide?
The InChIKey is DWGDRWBUHHKLMT-QSOGALPCSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-9-2-5-11(6-13(9)22)20-15-12(14(17)23)8-19-16(21-15)18-7-10-3-4-10/h8-11,13,22H,2-7H2,1H3,(H2,17,23)(H2,18,19,20,21)/t9-,11?,13-/m1/s1.
What are the key properties of 2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide?
2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71242409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).