N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine

C15H16ClN3 — CID 854382

IUPACN-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(Cl)nc(C)nc1NCc1ccccc1
InChIInChI=1S/C15H16ClN3/c1-3-7-13-14(16)18-11(2)19-15(13)17-10-12-8-5-4-6-9-12/h3-6,8-9H,1,7,10H2,2H3,(H,17,18,19)
InChIKeyCJOZWYPAQFUNMT-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.78
Rot. Bonds5

About N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine

N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine (PubChem CID 854382) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine
PubChem CID854382
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC NameN-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(Cl)nc(C)nc1NCc1ccccc1
InChIInChI=1S/C15H16ClN3/c1-3-7-13-14(16)18-11(2)19-15(13)17-10-12-8-5-4-6-9-12/h3-6,8-9H,1,7,10H2,2H3,(H,17,18,19)
InChIKeyCJOZWYPAQFUNMT-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine (CID 854382) is N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine is C=CCc1c(Cl)nc(C)nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine?
The InChIKey is CJOZWYPAQFUNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-3-7-13-14(16)18-11(2)19-15(13)17-10-12-8-5-4-6-9-12/h3-6,8-9H,1,7,10H2,2H3,(H,17,18,19).
What are the key properties of N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine?
N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 854382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).