N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine

C11H19N3 — CID 64597150

IUPACN-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCC(C)C(C)C)nc1
InChIInChI=1S/C11H19N3/c1-8(2)10(4)7-14-11-12-5-9(3)6-13-11/h5-6,8,10H,7H2,1-4H3,(H,12,13,14)
InChIKeyMUUGJUMIGDNQFD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.49
Rot. Bonds4

About N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine

N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine (PubChem CID 64597150) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine
PubChem CID64597150
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCC(C)C(C)C)nc1
InChIInChI=1S/C11H19N3/c1-8(2)10(4)7-14-11-12-5-9(3)6-13-11/h5-6,8,10H,7H2,1-4H3,(H,12,13,14)
InChIKeyMUUGJUMIGDNQFD-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine (CID 64597150) is N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine is Cc1cnc(NCC(C)C(C)C)nc1.
What is the InChIKey of N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine?
The InChIKey is MUUGJUMIGDNQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)10(4)7-14-11-12-5-9(3)6-13-11/h5-6,8,10H,7H2,1-4H3,(H,12,13,14).
What are the key properties of N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine?
N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 64597150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).