1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine

C14H23N5 — CID 83186326

IUPAC1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCN(C3CC3)CC2)nc1C
InChIInChI=1S/C14H23N5/c1-11-12(9-15-2)10-16-14(17-11)19-7-5-18(6-8-19)13-3-4-13/h10,13,15H,3-9H2,1-2H3
InChIKeyOLEOXAVZEOJXSV-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.79
Rot. Bonds4

About 1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 83186326) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID83186326
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCN(C3CC3)CC2)nc1C
InChIInChI=1S/C14H23N5/c1-11-12(9-15-2)10-16-14(17-11)19-7-5-18(6-8-19)13-3-4-13/h10,13,15H,3-9H2,1-2H3
InChIKeyOLEOXAVZEOJXSV-UHFFFAOYSA-N
XLogP0.79
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173
N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
CID 83179644
1-[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186471
1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189014
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186302
N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
CID 83178916
1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185473
N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine
CID 83185204
1-[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186290
N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185682
2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83185847
N-methyl-1-[4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-5-yl]methanamine
CID 83185977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 83186326) is 1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(N2CCN(C3CC3)CC2)nc1C.
What is the InChIKey of 1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is OLEOXAVZEOJXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11-12(9-15-2)10-16-14(17-11)19-7-5-18(6-8-19)13-3-4-13/h10,13,15H,3-9H2,1-2H3.
What are the key properties of 1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 261.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83186326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).