N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine

C23H26N6O — CID 89362353

IUPACN-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCOc1cccc(/C=C/c2ccc(Nc3cc(N4CCNCC4)nc(C)n3)nc2)c1
InChIInChI=1S/C23H26N6O/c1-17-26-22(15-23(27-17)29-12-10-24-11-13-29)28-21-9-8-19(16-25-21)7-6-18-4-3-5-20(14-18)30-2/h3-9,14-16,24H,10-13H2,1-2H3,(H,25,26,27,28)/b7-6+
InChIKeyQNBBTNQNSDSQEH-VOTSOKGWSA-N
MW402.50 g/mol
LogP3.51
Rot. Bonds6

About N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine

N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 89362353) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID89362353
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCOc1cccc(/C=C/c2ccc(Nc3cc(N4CCNCC4)nc(C)n3)nc2)c1
InChIInChI=1S/C23H26N6O/c1-17-26-22(15-23(27-17)29-12-10-24-11-13-29)28-21-9-8-19(16-25-21)7-6-18-4-3-5-20(14-18)30-2/h3-9,14-16,24H,10-13H2,1-2H3,(H,25,26,27,28)/b7-6+
InChIKeyQNBBTNQNSDSQEH-VOTSOKGWSA-N
XLogP3.51
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(E)-2-[2-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]phenol;hydrochloride
CID 87833244
N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874751
N-cyclopropyl-3-[(E)-2-[5-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazin-2-yl]ethenyl]benzamide
CID 53339852
2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine
CID 99987500
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
(Z)-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-2-methyl-4-piperazin-1-yl-1,6-dihydro-1,3-diazepin-7-imine
CID 143457113
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 133282077
(E)-1-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 122349906
3-methoxy-5-[(E)-2-[2-(4-piperazin-1-ylanilino)pyrimidin-5-yl]ethenyl]benzaldehyde
CID 144699776
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112875084

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine (CID 89362353) is N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine is COc1cccc(/C=C/c2ccc(Nc3cc(N4CCNCC4)nc(C)n3)nc2)c1.
What is the InChIKey of N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is QNBBTNQNSDSQEH-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H26N6O/c1-17-26-22(15-23(27-17)29-12-10-24-11-13-29)28-21-9-8-19(16-25-21)7-6-18-4-3-5-20(14-18)30-2/h3-9,14-16,24H,10-13H2,1-2H3,(H,25,26,27,28)/b7-6+.
What are the key properties of N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine?
N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 402.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 89362353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).