N-butan-2-yl-5-methylpyrimidin-2-amine

C9H15N3 — CID 63208225

IUPACN-butan-2-yl-5-methylpyrimidin-2-amine
SMILESCCC(C)Nc1ncc(C)cn1
InChIInChI=1S/C9H15N3/c1-4-8(3)12-9-10-5-7(2)6-11-9/h5-6,8H,4H2,1-3H3,(H,10,11,12)
InChIKeyQRVIXAHHCLVYOO-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.00
Rot. Bonds3

About N-butan-2-yl-5-methylpyrimidin-2-amine

N-butan-2-yl-5-methylpyrimidin-2-amine (PubChem CID 63208225) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-butan-2-yl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-methylpyrimidin-2-amine
PubChem CID63208225
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-butan-2-yl-5-methylpyrimidin-2-amine
SMILESCCC(C)Nc1ncc(C)cn1
InChIInChI=1S/C9H15N3/c1-4-8(3)12-9-10-5-7(2)6-11-9/h5-6,8H,4H2,1-3H3,(H,10,11,12)
InChIKeyQRVIXAHHCLVYOO-UHFFFAOYSA-N
XLogP2.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-methylpyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-5-methylpyrimidin-2-amine (CID 63208225) is N-butan-2-yl-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-5-methylpyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-5-methylpyrimidin-2-amine is CCC(C)Nc1ncc(C)cn1.
What is the InChIKey of N-butan-2-yl-5-methylpyrimidin-2-amine?
The InChIKey is QRVIXAHHCLVYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-8(3)12-9-10-5-7(2)6-11-9/h5-6,8H,4H2,1-3H3,(H,10,11,12).
What are the key properties of N-butan-2-yl-5-methylpyrimidin-2-amine?
N-butan-2-yl-5-methylpyrimidin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 63208225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).