N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium

C32H50F2N6OV — CID 159644688

IUPACN-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium
SMILESCC(=O)CC1CCC(Nc2nc(C)nc(C)c2C)CC1.Cc1nc(C)c(C)c(NC2CCC(CC(C)(F)F)CC2)n1.[V]
InChIInChI=1S/C16H25F2N3.C16H25N3O.V/c1-10-11(2)19-12(3)20-15(10)21-14-7-5-13(6-8-14)9-16(4,17)18;1-10(20)9-14-5-7-15(8-6-14)19-16-11(2)12(3)17-13(4)18-16;/h13-14H,5-9H2,1-4H3,(H,19,20,21);14-15H,5-9H2,1-4H3,(H,17,18,19);
InChIKeyMQUOXDBBQMFCHD-UHFFFAOYSA-N
MW623.73 g/mol
LogP7.77
Rot. Bonds8

About N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium

N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium (PubChem CID 159644688) has the molecular formula C32H50F2N6OV and a molecular weight of 623.73 g/mol. Its IUPAC name is N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium.

Molecular Properties

Compound NameN-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium
PubChem CID159644688
Molecular FormulaC32H50F2N6OV
Molecular Weight623.73 g/mol
Exact Mass623.35
IUPAC NameN-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium
SMILESCC(=O)CC1CCC(Nc2nc(C)nc(C)c2C)CC1.Cc1nc(C)c(C)c(NC2CCC(CC(C)(F)F)CC2)n1.[V]
InChIInChI=1S/C16H25F2N3.C16H25N3O.V/c1-10-11(2)19-12(3)20-15(10)21-14-7-5-13(6-8-14)9-16(4,17)18;1-10(20)9-14-5-7-15(8-6-14)19-16-11(2)12(3)17-13(4)18-16;/h13-14H,5-9H2,1-4H3,(H,19,20,21);14-15H,5-9H2,1-4H3,(H,17,18,19);
InChIKeyMQUOXDBBQMFCHD-UHFFFAOYSA-N
XLogP7.77
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.73
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium with MolForge

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Related Compounds

1-[4-[(2,5,6-Trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one
CID 59943473

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium?
The IUPAC name of N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium (CID 159644688) is N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium.
What is the SMILES notation for N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium?
The canonical SMILES for N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium is CC(=O)CC1CCC(Nc2nc(C)nc(C)c2C)CC1.Cc1nc(C)c(C)c(NC2CCC(CC(C)(F)F)CC2)n1.[V].
What is the InChIKey of N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium?
The InChIKey is MQUOXDBBQMFCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3.C16H25N3O.V/c1-10-11(2)19-12(3)20-15(10)21-14-7-5-13(6-8-14)9-16(4,17)18;1-10(20)9-14-5-7-15(8-6-14)19-16-11(2)12(3)17-13(4)18-16;/h13-14H,5-9H2,1-4H3,(H,19,20,21);14-15H,5-9H2,1-4H3,(H,17,18,19);.
What are the key properties of N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium?
N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium has a molecular weight of 623.73 g/mol, XLogP of 7.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine;1-[4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclohexyl]propan-2-one;vanadium is sourced from PubChem (CID 159644688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).