5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine

C10H16ClN3 — CID 79557408

IUPAC5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine
SMILESCC(C)C(C)CNc1ncc(Cl)cn1
InChIInChI=1S/C10H16ClN3/c1-7(2)8(3)4-12-10-13-5-9(11)6-14-10/h5-8H,4H2,1-3H3,(H,12,13,14)
InChIKeyGMXWJUVWGYBRNZ-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.83
Rot. Bonds4

About 5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine

5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine (PubChem CID 79557408) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine
PubChem CID79557408
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine
SMILESCC(C)C(C)CNc1ncc(Cl)cn1
InChIInChI=1S/C10H16ClN3/c1-7(2)8(3)4-12-10-13-5-9(11)6-14-10/h5-8H,4H2,1-3H3,(H,12,13,14)
InChIKeyGMXWJUVWGYBRNZ-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine (CID 79557408) is 5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine is CC(C)C(C)CNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine?
The InChIKey is GMXWJUVWGYBRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-7(2)8(3)4-12-10-13-5-9(11)6-14-10/h5-8H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine?
5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 79557408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).