N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine

C17H22N4 — CID 62756382

IUPACN-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine
SMILESCc1nc(-c2ccccn2)nc(C)c1C(C)CNC1CC1
InChIInChI=1S/C17H22N4/c1-11(10-19-14-7-8-14)16-12(2)20-17(21-13(16)3)15-6-4-5-9-18-15/h4-6,9,11,14,19H,7-8,10H2,1-3H3
InChIKeyUKHSGBHSSYWRAL-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine

N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine (PubChem CID 62756382) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine
PubChem CID62756382
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine
SMILESCc1nc(-c2ccccn2)nc(C)c1C(C)CNC1CC1
InChIInChI=1S/C17H22N4/c1-11(10-19-14-7-8-14)16-12(2)20-17(21-13(16)3)15-6-4-5-9-18-15/h4-6,9,11,14,19H,7-8,10H2,1-3H3
InChIKeyUKHSGBHSSYWRAL-UHFFFAOYSA-N
XLogP3.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine (CID 62756382) is N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine is Cc1nc(-c2ccccn2)nc(C)c1C(C)CNC1CC1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine?
The InChIKey is UKHSGBHSSYWRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11(10-19-14-7-8-14)16-12(2)20-17(21-13(16)3)15-6-4-5-9-18-15/h4-6,9,11,14,19H,7-8,10H2,1-3H3.
What are the key properties of N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine?
N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine has a molecular weight of 282.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62756382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).