1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine

C22H31N7 — CID 142223992

IUPAC1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine
SMILESC=C(C1CN(C2=NC(c3ccncn3)=CC(=C)N2C)CCN1C)N1CCCCC1
InChIInChI=1S/C22H31N7/c1-17-14-20(19-8-9-23-16-24-19)25-22(27(17)4)29-13-12-26(3)21(15-29)18(2)28-10-6-5-7-11-28/h8-9,14,16,21H,1-2,5-7,10-13,15H2,3-4H3
InChIKeyYYMNAQNBNRFRDG-UHFFFAOYSA-N
MW393.54 g/mol
LogP2.25
Rot. Bonds3

About 1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine

1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine (PubChem CID 142223992) has the molecular formula C22H31N7 and a molecular weight of 393.54 g/mol. Its IUPAC name is 1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine.

Molecular Properties

Compound Name1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine
PubChem CID142223992
Molecular FormulaC22H31N7
Molecular Weight393.54 g/mol
Exact Mass393.26
IUPAC Name1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine
SMILESC=C(C1CN(C2=NC(c3ccncn3)=CC(=C)N2C)CCN1C)N1CCCCC1
InChIInChI=1S/C22H31N7/c1-17-14-20(19-8-9-23-16-24-19)25-22(27(17)4)29-13-12-26(3)21(15-29)18(2)28-10-6-5-7-11-28/h8-9,14,16,21H,1-2,5-7,10-13,15H2,3-4H3
InChIKeyYYMNAQNBNRFRDG-UHFFFAOYSA-N
XLogP2.25
TPSA51.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline
CID 142224109
1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
CID 142224103
1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
CID 142224056
2-[(3R)-3-(2-ethyl-6-methoxyphenyl)piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine
CID 142224060
2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine
CID 142224010
1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine
CID 142238726
3,4-dihydro-2H-quinolin-1-yl-[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 142238753
(3-chloro-5-fluorophenyl)-[4-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]methanone
CID 142238635
[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97189052
[(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 110203913
3-methyl-4-methylidene-N-(2-phenylprop-2-enyl)-6-pyrimidin-4-yl-1H-pyrimidin-2-imine
CID 142224065
tert-butyl 4-[5-[(4-oxo-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)carbamoyl]-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 91606260

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine?
The IUPAC name of 1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine (CID 142223992) is 1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine.
What is the SMILES notation for 1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine?
The canonical SMILES for 1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine is C=C(C1CN(C2=NC(c3ccncn3)=CC(=C)N2C)CCN1C)N1CCCCC1.
What is the InChIKey of 1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine?
The InChIKey is YYMNAQNBNRFRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7/c1-17-14-20(19-8-9-23-16-24-19)25-22(27(17)4)29-13-12-26(3)21(15-29)18(2)28-10-6-5-7-11-28/h8-9,14,16,21H,1-2,5-7,10-13,15H2,3-4H3.
What are the key properties of 1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine?
1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine has a molecular weight of 393.54 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine is sourced from PubChem (CID 142223992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).