5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine

C19H29N5 — CID 123729714

IUPAC5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
SMILESC=C/C(C)=N/C(=C)c1c(C)nc(N2CCCCC2)nc1NC(C)C
InChIInChI=1S/C19H29N5/c1-7-14(4)21-15(5)17-16(6)22-19(23-18(17)20-13(2)3)24-11-9-8-10-12-24/h7,13H,1,5,8-12H2,2-4,6H3,(H,20,22,23)/b21-14+
InChIKeySNMZBJGDCGYCRW-KGENOOAVSA-N
MW327.48 g/mol
LogP4.21
Rot. Bonds6

About 5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine

5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 123729714) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
PubChem CID123729714
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
SMILESC=C/C(C)=N/C(=C)c1c(C)nc(N2CCCCC2)nc1NC(C)C
InChIInChI=1S/C19H29N5/c1-7-14(4)21-15(5)17-16(6)22-19(23-18(17)20-13(2)3)24-11-9-8-10-12-24/h7,13H,1,5,8-12H2,2-4,6H3,(H,20,22,23)/b21-14+
InChIKeySNMZBJGDCGYCRW-KGENOOAVSA-N
XLogP4.21
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-6-methyl-5-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271028
4-N-butyl-6-methyl-5-(3-piperidin-1-ylprop-1-ynyl)pyrimidine-2,4-diamine
CID 135271013
1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-amine
CID 4728071
Pyrimidine, 2-amino-4-(gamma-diethylaminopropylamino)-5,6-dimethyl-
CID 114146
N,N,6-trimethyl-2-piperidin-3-ylpyrimidin-4-amine
CID 66509977
N,N,6-trimethyl-2-(4-methylpiperidin-4-yl)pyrimidin-4-amine
CID 66510027
N,N,6-trimethyl-2-(3-methylpiperidin-3-yl)pyrimidin-4-amine
CID 73439708
4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine
CID 47072382
4-(1,4'-bipiperidin-1'-yl)-N,N,5,6-tetramethylpyrimidin-2-amine
CID 50967883
6-(Aminomethyl)-N-[2-(1-isopropylpiperidin-4-YL)ethyl]-2-methylpyrimidin-4-amine
CID 56710227
2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 95120555
2-N,2-N,6-trimethyl-4-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidine-2,4-diamine
CID 95124919

Frequently Asked Questions

What is the IUPAC name of 5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine (CID 123729714) is 5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine is C=C/C(C)=N/C(=C)c1c(C)nc(N2CCCCC2)nc1NC(C)C.
What is the InChIKey of 5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is SNMZBJGDCGYCRW-KGENOOAVSA-N. The full InChI is InChI=1S/C19H29N5/c1-7-14(4)21-15(5)17-16(6)22-19(23-18(17)20-13(2)3)24-11-9-8-10-12-24/h7,13H,1,5,8-12H2,2-4,6H3,(H,20,22,23)/b21-14+.
What are the key properties of 5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine?
5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 327.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(but-3-en-2-ylideneamino)ethenyl]-6-methyl-2-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 123729714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).