N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine

C14H16ClN3 — CID 55065278

IUPACN-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)N(Cc1ccccc1)c1ccnc(Cl)n1
InChIInChI=1S/C14H16ClN3/c1-11(2)18(10-12-6-4-3-5-7-12)13-8-9-16-14(15)17-13/h3-9,11H,10H2,1-2H3
InChIKeyHIODKGCLGAELLU-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.55
Rot. Bonds4

About N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine

N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine (PubChem CID 55065278) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
PubChem CID55065278
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)N(Cc1ccccc1)c1ccnc(Cl)n1
InChIInChI=1S/C14H16ClN3/c1-11(2)18(10-12-6-4-3-5-7-12)13-8-9-16-14(15)17-13/h3-9,11H,10H2,1-2H3
InChIKeyHIODKGCLGAELLU-UHFFFAOYSA-N
XLogP3.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine (CID 55065278) is N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine is CC(C)N(Cc1ccccc1)c1ccnc(Cl)n1.
What is the InChIKey of N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is HIODKGCLGAELLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-11(2)18(10-12-6-4-3-5-7-12)13-8-9-16-14(15)17-13/h3-9,11H,10H2,1-2H3.
What are the key properties of N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine?
N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 55065278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).