N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine

C16H26N4 — CID 62756927

IUPACN-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
SMILESCc1nc(N2CCCC2)nc(C)c1C(C)CNC1CC1
InChIInChI=1S/C16H26N4/c1-11(10-17-14-6-7-14)15-12(2)18-16(19-13(15)3)20-8-4-5-9-20/h11,14,17H,4-10H2,1-3H3
InChIKeyHXHVRWZIBFHHFX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine

N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine (PubChem CID 62756927) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
PubChem CID62756927
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
SMILESCc1nc(N2CCCC2)nc(C)c1C(C)CNC1CC1
InChIInChI=1S/C16H26N4/c1-11(10-17-14-6-7-14)15-12(2)18-16(19-13(15)3)20-8-4-5-9-20/h11,14,17H,4-10H2,1-3H3
InChIKeyHXHVRWZIBFHHFX-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62744044
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 62756381
N-[2-[2-(tert-butylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 65138253
N-[2-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62756382
N-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]cyclopropanamine
CID 79225549
2-(azepan-1-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913450
N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine
CID 79225433
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746715
2-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62096386
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine
CID 45192252
N-[2-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
CID 79219858

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine (CID 62756927) is N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine is Cc1nc(N2CCCC2)nc(C)c1C(C)CNC1CC1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine?
The InChIKey is HXHVRWZIBFHHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11(10-17-14-6-7-14)15-12(2)18-16(19-13(15)3)20-8-4-5-9-20/h11,14,17H,4-10H2,1-3H3.
What are the key properties of N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine?
N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.55, 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-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62756927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).