N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine

C20H35N3 — CID 142121022

IUPACN-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine
SMILESC=C(CC)N(c1nccc(CCC)n1)C(CCCC)CCCC
InChIInChI=1S/C20H35N3/c1-6-10-13-19(14-11-7-2)23(17(5)9-4)20-21-16-15-18(22-20)12-8-3/h15-16,19H,5-14H2,1-4H3
InChIKeyVQSXWINIYMPSAY-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.91
Rot. Bonds12

About N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine

N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine (PubChem CID 142121022) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine
PubChem CID142121022
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC NameN-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine
SMILESC=C(CC)N(c1nccc(CCC)n1)C(CCCC)CCCC
InChIInChI=1S/C20H35N3/c1-6-10-13-19(14-11-7-2)23(17(5)9-4)20-21-16-15-18(22-20)12-8-3/h15-16,19H,5-14H2,1-4H3
InChIKeyVQSXWINIYMPSAY-UHFFFAOYSA-N
XLogP5.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine?
The IUPAC name of N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine (CID 142121022) is N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine.
What is the SMILES notation for N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine?
The canonical SMILES for N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine is C=C(CC)N(c1nccc(CCC)n1)C(CCCC)CCCC.
What is the InChIKey of N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine?
The InChIKey is VQSXWINIYMPSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3/c1-6-10-13-19(14-11-7-2)23(17(5)9-4)20-21-16-15-18(22-20)12-8-3/h15-16,19H,5-14H2,1-4H3.
What are the key properties of N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine?
N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine has a molecular weight of 317.52 g/mol, XLogP of 5.91, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine is sourced from PubChem (CID 142121022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).