4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine

C18H23N5 — CID 112882378

IUPAC4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
SMILESc1ccc(CN2CCN(c3ccnc(NC4CC4)n3)CC2)cc1
InChIInChI=1S/C18H23N5/c1-2-4-15(5-3-1)14-22-10-12-23(13-11-22)17-8-9-19-18(21-17)20-16-6-7-16/h1-5,8-9,16H,6-7,10-14H2,(H,19,20,21)
InChIKeyWTODBSUFMMDFKP-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.37
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine

4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine (PubChem CID 112882378) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
PubChem CID112882378
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
SMILESc1ccc(CN2CCN(c3ccnc(NC4CC4)n3)CC2)cc1
InChIInChI=1S/C18H23N5/c1-2-4-15(5-3-1)14-22-10-12-23(13-11-22)17-8-9-19-18(21-17)20-16-6-7-16/h1-5,8-9,16H,6-7,10-14H2,(H,19,20,21)
InChIKeyWTODBSUFMMDFKP-UHFFFAOYSA-N
XLogP2.37
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086074
4-(azepan-1-yl)-N-[1-[[3,4-bis(phenylmethoxy)phenyl]methyl]piperidin-4-yl]pyrimidin-2-amine
CID 66902816
4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine
CID 112896317
4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891536
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 71598389
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine (CID 112882378) is 4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine is c1ccc(CN2CCN(c3ccnc(NC4CC4)n3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine?
The InChIKey is WTODBSUFMMDFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-2-4-15(5-3-1)14-22-10-12-23(13-11-22)17-8-9-19-18(21-17)20-16-6-7-16/h1-5,8-9,16H,6-7,10-14H2,(H,19,20,21).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine?
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine has a molecular weight of 309.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine is sourced from PubChem (CID 112882378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).