N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine

C18H22N4 — CID 44522388

IUPACN-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NC3CCCCC3)cc(C3CC3)n2)nc1
InChIInChI=1S/C18H22N4/c1-2-6-14(7-3-1)20-17-12-16(13-9-10-13)21-18(22-17)15-8-4-5-11-19-15/h4-5,8,11-14H,1-3,6-7,9-10H2,(H,20,21,22)
InChIKeyTVBQRAPNJPDSJM-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.16
Rot. Bonds4

About N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine

N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 44522388) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID44522388
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NC3CCCCC3)cc(C3CC3)n2)nc1
InChIInChI=1S/C18H22N4/c1-2-6-14(7-3-1)20-17-12-16(13-9-10-13)21-18(22-17)15-8-4-5-11-19-15/h4-5,8,11-14H,1-3,6-7,9-10H2,(H,20,21,22)
InChIKeyTVBQRAPNJPDSJM-UHFFFAOYSA-N
XLogP4.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine (CID 44522388) is N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine is c1ccc(-c2nc(NC3CCCCC3)cc(C3CC3)n2)nc1.
What is the InChIKey of N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is TVBQRAPNJPDSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-2-6-14(7-3-1)20-17-12-16(13-9-10-13)21-18(22-17)15-8-4-5-11-19-15/h4-5,8,11-14H,1-3,6-7,9-10H2,(H,20,21,22).
What are the key properties of N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine?
N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 294.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 44522388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).