N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C21H23N7 — CID 112932983

IUPACN-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1ccc(-c2cc(NC3CC3)nc(N3CCN(c4ncccn4)CC3)n2)cc1
InChIInChI=1S/C21H23N7/c1-2-5-16(6-3-1)18-15-19(24-17-7-8-17)26-21(25-18)28-13-11-27(12-14-28)20-22-9-4-10-23-20/h1-6,9-10,15,17H,7-8,11-14H2,(H,24,25,26)
InChIKeyFTPOKUJZHWAXSZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.83
Rot. Bonds5

About N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112932983) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112932983
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC NameN-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1ccc(-c2cc(NC3CC3)nc(N3CCN(c4ncccn4)CC3)n2)cc1
InChIInChI=1S/C21H23N7/c1-2-5-16(6-3-1)18-15-19(24-17-7-8-17)26-21(25-18)28-13-11-27(12-14-28)20-22-9-4-10-23-20/h1-6,9-10,15,17H,7-8,11-14H2,(H,24,25,26)
InChIKeyFTPOKUJZHWAXSZ-UHFFFAOYSA-N
XLogP2.83
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112932936
N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936505
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430
[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112932981
2-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidin-4-amine
CID 112937542
N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 47054044
4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 117081020
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
N-cyclopentyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112868660
N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
CID 5005272
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112932983) is N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is c1ccc(-c2cc(NC3CC3)nc(N3CCN(c4ncccn4)CC3)n2)cc1.
What is the InChIKey of N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is FTPOKUJZHWAXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-2-5-16(6-3-1)18-15-19(24-17-7-8-17)26-21(25-18)28-13-11-27(12-14-28)20-22-9-4-10-23-20/h1-6,9-10,15,17H,7-8,11-14H2,(H,24,25,26).
What are the key properties of N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 373.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112932983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).