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

C21H25N7O — CID 112935030

IUPACN-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOCCNc1nc(-c2ccccc2)cc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7O/c1-29-15-10-22-20-25-18(17-6-3-2-4-7-17)16-19(26-20)27-11-13-28(14-12-27)21-23-8-5-9-24-21/h2-9,16H,10-15H2,1H3,(H,22,25,26)
InChIKeyZWNLGVHOWJCBDC-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.32
Rot. Bonds7

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

N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112935030) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112935030
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOCCNc1nc(-c2ccccc2)cc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7O/c1-29-15-10-22-20-25-18(17-6-3-2-4-7-17)16-19(26-20)27-11-13-28(14-12-27)21-23-8-5-9-24-21/h2-9,16H,10-15H2,1H3,(H,22,25,26)
InChIKeyZWNLGVHOWJCBDC-UHFFFAOYSA-N
XLogP2.32
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112934992
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430
N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936261
N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934109
4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine
CID 112935296
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
CID 67087546
N-[(2-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936252

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112935030) is N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine is COCCNc1nc(-c2ccccc2)cc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is ZWNLGVHOWJCBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-29-15-10-22-20-25-18(17-6-3-2-4-7-17)16-19(26-20)27-11-13-28(14-12-27)21-23-8-5-9-24-21/h2-9,16H,10-15H2,1H3,(H,22,25,26).
What are the key properties of N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 391.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112935030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).