N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine

C17H29N3 — CID 65402599

IUPACN-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(C2CCC(C(C)C)CC2)n1
InChIInChI=1S/C17H29N3/c1-12(2)14-5-7-15(8-6-14)17-18-10-9-16(20-17)11-19-13(3)4/h9-10,12-15,19H,5-8,11H2,1-4H3
InChIKeyCXGAPPKWWYOBCO-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.90
Rot. Bonds5

About N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine

N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 65402599) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID65402599
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(C2CCC(C(C)C)CC2)n1
InChIInChI=1S/C17H29N3/c1-12(2)14-5-7-15(8-6-14)17-18-10-9-16(20-17)11-19-13(3)4/h9-10,12-15,19H,5-8,11H2,1-4H3
InChIKeyCXGAPPKWWYOBCO-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine (CID 65402599) is N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine is CC(C)NCc1ccnc(C2CCC(C(C)C)CC2)n1.
What is the InChIKey of N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is CXGAPPKWWYOBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-12(2)14-5-7-15(8-6-14)17-18-10-9-16(20-17)11-19-13(3)4/h9-10,12-15,19H,5-8,11H2,1-4H3.
What are the key properties of N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65402599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).