N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine

C10H16ClN3 — CID 63729764

IUPACN-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine
SMILESCCC(C)N(C)c1ncnc(Cl)c1C
InChIInChI=1S/C10H16ClN3/c1-5-7(2)14(4)10-8(3)9(11)12-6-13-10/h6-7H,5H2,1-4H3
InChIKeySJJCOKWBULAZHF-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.67
Rot. Bonds3

About N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine

N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine (PubChem CID 63729764) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine
PubChem CID63729764
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine
SMILESCCC(C)N(C)c1ncnc(Cl)c1C
InChIInChI=1S/C10H16ClN3/c1-5-7(2)14(4)10-8(3)9(11)12-6-13-10/h6-7H,5H2,1-4H3
InChIKeySJJCOKWBULAZHF-UHFFFAOYSA-N
XLogP2.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine (CID 63729764) is N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine is CCC(C)N(C)c1ncnc(Cl)c1C.
What is the InChIKey of N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine?
The InChIKey is SJJCOKWBULAZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-5-7(2)14(4)10-8(3)9(11)12-6-13-10/h6-7H,5H2,1-4H3.
What are the key properties of N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine?
N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine has a molecular weight of 213.71 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63729764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).