N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine

C16H23N3 — CID 166707278

IUPACN-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine
SMILESC=C=CCN(C)CC1=NC(/C(C)=C\C)=C(C)C(=C)N1
InChIInChI=1S/C16H23N3/c1-7-9-10-19(6)11-15-17-14(5)13(4)16(18-15)12(3)8-2/h8-9H,1,5,10-11H2,2-4,6H3,(H,17,18)/b12-8-
InChIKeyFZCROBCSQDOIOX-WQLSENKSSA-N
MW257.38 g/mol
LogP3.01
Rot. Bonds5

About N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine

N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine (PubChem CID 166707278) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine.

Molecular Properties

Compound NameN-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine
PubChem CID166707278
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine
SMILESC=C=CCN(C)CC1=NC(/C(C)=C\C)=C(C)C(=C)N1
InChIInChI=1S/C16H23N3/c1-7-9-10-19(6)11-15-17-14(5)13(4)16(18-15)12(3)8-2/h8-9H,1,5,10-11H2,2-4,6H3,(H,17,18)/b12-8-
InChIKeyFZCROBCSQDOIOX-WQLSENKSSA-N
XLogP3.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine?
The IUPAC name of N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine (CID 166707278) is N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine.
What is the SMILES notation for N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine?
The canonical SMILES for N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine is C=C=CCN(C)CC1=NC(/C(C)=C\C)=C(C)C(=C)N1.
What is the InChIKey of N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine?
The InChIKey is FZCROBCSQDOIOX-WQLSENKSSA-N. The full InChI is InChI=1S/C16H23N3/c1-7-9-10-19(6)11-15-17-14(5)13(4)16(18-15)12(3)8-2/h8-9H,1,5,10-11H2,2-4,6H3,(H,17,18)/b12-8-.
What are the key properties of N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine?
N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine is sourced from PubChem (CID 166707278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).