2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine

C14H23N5 — CID 80657678

IUPAC2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CN2CCN(C3CC3)CC2)n1
InChIInChI=1S/C14H23N5/c1-11-9-13(15-2)17-14(16-11)10-18-5-7-19(8-6-18)12-3-4-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyMEBZOGXXYMBDFL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.11
Rot. Bonds4

About 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80657678) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80657678
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CN2CCN(C3CC3)CC2)n1
InChIInChI=1S/C14H23N5/c1-11-9-13(15-2)17-14(16-11)10-18-5-7-19(8-6-18)12-3-4-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyMEBZOGXXYMBDFL-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol
CID 80657903
4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol
CID 81102789
2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80656898
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 103538650
6-[(4-cyclopropylpiperazin-1-yl)methyl]-N-methylpyridin-2-amine
CID 79243399
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
CID 80656948
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine
CID 80657780
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N,6-dimethylpyrimidin-4-amine
CID 80657443
N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 103502321
[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
CID 80656209
[6,6-dimethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]morpholin-2-yl]methanol
CID 114780154
3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 80653964

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80657678) is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(CN2CCN(C3CC3)CC2)n1.
What is the InChIKey of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is MEBZOGXXYMBDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11-9-13(15-2)17-14(16-11)10-18-5-7-19(8-6-18)12-3-4-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80657678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).