N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C18H25N5O — CID 112856870

IUPACN-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOCCCNc1cc(N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C18H25N5O/c1-24-13-5-8-19-17-14-18(21-15-20-17)23-11-9-22(10-12-23)16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,19,20,21)
InChIKeyGXZLDQJVXDETIL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.25
Rot. Bonds7

About N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112856870) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112856870
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOCCCNc1cc(N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C18H25N5O/c1-24-13-5-8-19-17-14-18(21-15-20-17)23-11-9-22(10-12-23)16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,19,20,21)
InChIKeyGXZLDQJVXDETIL-UHFFFAOYSA-N
XLogP2.25
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856838
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856883
1-[4-[6-(3-methoxypropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112856840
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856701
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112856656
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 2073637
N-(3-methoxypropyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112943886
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112856870) is N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is COCCCNc1cc(N2CCN(c3ccccc3)CC2)ncn1.
What is the InChIKey of N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is GXZLDQJVXDETIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-24-13-5-8-19-17-14-18(21-15-20-17)23-11-9-22(10-12-23)16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,19,20,21).
What are the key properties of N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 327.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112856870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).