N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

C15H16ClN3 — CID 80971045

IUPACN-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1ccccc1
InChIInChI=1S/C15H16ClN3/c1-10-13(16)18-15(12-7-8-12)19-14(10)17-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,17,18,19)
InChIKeyRGQNANRAONFRSL-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.93
Rot. Bonds4

About N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80971045) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80971045
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC NameN-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1ccccc1
InChIInChI=1S/C15H16ClN3/c1-10-13(16)18-15(12-7-8-12)19-14(10)17-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,17,18,19)
InChIKeyRGQNANRAONFRSL-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80971045) is N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is RGQNANRAONFRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-10-13(16)18-15(12-7-8-12)19-14(10)17-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,17,18,19).
What are the key properties of N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 3.93, 4 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-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80971045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).