N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine

C17H32N4 — CID 121329503

IUPACN-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCC/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C17H32N4/c1-5-20(6-2)12-9-11-18-10-7-8-13-21-15-19-16(3)14-17(21)4/h8,13-14,18H,5-7,9-12,15H2,1-4H3/b13-8-
InChIKeyRVNWSQBBLJLPDA-JYRVWZFOSA-N
MW292.47 g/mol
LogP2.85
Rot. Bonds10

About N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine

N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 121329503) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine
PubChem CID121329503
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCC/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C17H32N4/c1-5-20(6-2)12-9-11-18-10-7-8-13-21-15-19-16(3)14-17(21)4/h8,13-14,18H,5-7,9-12,15H2,1-4H3/b13-8-
InChIKeyRVNWSQBBLJLPDA-JYRVWZFOSA-N
XLogP2.85
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine (CID 121329503) is N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNCC/C=C\N1CN=C(C)C=C1C.
What is the InChIKey of N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is RVNWSQBBLJLPDA-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-20(6-2)12-9-11-18-10-7-8-13-21-15-19-16(3)14-17(21)4/h8,13-14,18H,5-7,9-12,15H2,1-4H3/b13-8-.
What are the key properties of N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine?
N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enyl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 121329503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).