(2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine

C15H24N4 — CID 176942034

IUPAC(2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine
SMILESCCC(C)=C/C=C1/N=C(N2CCNCC2)C=CN1C
InChIInChI=1S/C15H24N4/c1-4-13(2)5-6-14-17-15(7-10-18(14)3)19-11-8-16-9-12-19/h5-7,10,16H,4,8-9,11-12H2,1-3H3/b13-5?,14-6-
InChIKeyMFUHVHGOHWACDQ-UVSYKHRQSA-N
MW260.38 g/mol
LogP1.95
Rot. Bonds2

About (2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine

(2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine (PubChem CID 176942034) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name(2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine
PubChem CID176942034
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name(2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine
SMILESCCC(C)=C/C=C1/N=C(N2CCNCC2)C=CN1C
InChIInChI=1S/C15H24N4/c1-4-13(2)5-6-14-17-15(7-10-18(14)3)19-11-8-16-9-12-19/h5-7,10,16H,4,8-9,11-12H2,1-3H3/b13-5?,14-6-
InChIKeyMFUHVHGOHWACDQ-UVSYKHRQSA-N
XLogP1.95
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-piperazin-1-yl-3H-azepine
CID 56612312
2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
CID 68748563
1-(4-Methyl-5,6-dimethylidene-2-pyridinyl)piperazine
CID 123234443
6-ethyl-2-piperazin-1-yl-3H-azepine
CID 132001988
4-Cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine
CID 142510978
6-methyl-2-piperazin-1-yl-3H-azepine
CID 142941257
N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
CID 143096898
(Z)-1-N'-[6-[4-(1,2-dihydropyridin-4-yl)piperazin-1-yl]-2-[(1E,3E,5Z)-3-ethenylhepta-1,3,5-trienyl]-3-methyl-2H-pyrimidin-4-yl]-1-N-methylbut-2-ene-1,1,3-triamine
CID 144004911
2-amino-N'-[(Z,2E)-2-[[[(Z)-2-aminoethenyl]-methylamino]methylidene]hex-3-enyl]-N-[(Z)-1-amino-2-(methylideneamino)ethenyl]ethanimidamide
CID 156182422
1-[(5Z,6E)-5-ethylidene-6-prop-2-enylidene-2-pyridinyl]piperazine
CID 156377873
(Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 169205013
8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine
CID 170048765

Frequently Asked Questions

What is the IUPAC name of (2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine?
The IUPAC name of (2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine (CID 176942034) is (2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine.
What is the SMILES notation for (2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine?
The canonical SMILES for (2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine is CCC(C)=C/C=C1/N=C(N2CCNCC2)C=CN1C.
What is the InChIKey of (2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine?
The InChIKey is MFUHVHGOHWACDQ-UVSYKHRQSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-13(2)5-6-14-17-15(7-10-18(14)3)19-11-8-16-9-12-19/h5-7,10,16H,4,8-9,11-12H2,1-3H3/b13-5?,14-6-.
What are the key properties of (2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine?
(2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine has a molecular weight of 260.38 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methyl-2-(3-methylpent-2-enylidene)-4-piperazin-1-ylpyrimidine is sourced from PubChem (CID 176942034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).