(1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide

C15H22N4O — CID 122558492

IUPAC(1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide
SMILESCCCc1nc(C)cc(N[C@@H]2CC=CC[C@H]2C(N)=O)n1
InChIInChI=1S/C15H22N4O/c1-3-6-13-17-10(2)9-14(19-13)18-12-8-5-4-7-11(12)15(16)20/h4-5,9,11-12H,3,6-8H2,1-2H3,(H2,16,20)(H,17,18,19)/t11-,12-/m1/s1
InChIKeyHPZARWOEPGKUFW-VXGBXAGGSA-N
MW274.37 g/mol
LogP1.97
Rot. Bonds5

About (1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide

(1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide (PubChem CID 122558492) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide
PubChem CID122558492
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide
SMILESCCCc1nc(C)cc(N[C@@H]2CC=CC[C@H]2C(N)=O)n1
InChIInChI=1S/C15H22N4O/c1-3-6-13-17-10(2)9-14(19-13)18-12-8-5-4-7-11(12)15(16)20/h4-5,9,11-12H,3,6-8H2,1-2H3,(H2,16,20)(H,17,18,19)/t11-,12-/m1/s1
InChIKeyHPZARWOEPGKUFW-VXGBXAGGSA-N
XLogP1.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide (CID 122558492) is (1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide is CCCc1nc(C)cc(N[C@@H]2CC=CC[C@H]2C(N)=O)n1.
What is the InChIKey of (1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide?
The InChIKey is HPZARWOEPGKUFW-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-6-13-17-10(2)9-14(19-13)18-12-8-5-4-7-11(12)15(16)20/h4-5,9,11-12H,3,6-8H2,1-2H3,(H2,16,20)(H,17,18,19)/t11-,12-/m1/s1.
What are the key properties of (1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide?
(1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 122558492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).