4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine

C8H15N3 — CID 129239359

IUPAC4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine
SMILESCC(C)C1=NC(C)(N)C=CN1
InChIInChI=1S/C8H15N3/c1-6(2)7-10-5-4-8(3,9)11-7/h4-6H,9H2,1-3H3,(H,10,11)
InChIKeyFTRYEIPIXQTLGL-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.83
Rot. Bonds1

About 4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine

4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine (PubChem CID 129239359) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine
PubChem CID129239359
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine
SMILESCC(C)C1=NC(C)(N)C=CN1
InChIInChI=1S/C8H15N3/c1-6(2)7-10-5-4-8(3,9)11-7/h4-6H,9H2,1-3H3,(H,10,11)
InChIKeyFTRYEIPIXQTLGL-UHFFFAOYSA-N
XLogP0.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine?
The IUPAC name of 4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine (CID 129239359) is 4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine.
What is the SMILES notation for 4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine?
The canonical SMILES for 4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine is CC(C)C1=NC(C)(N)C=CN1.
What is the InChIKey of 4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine?
The InChIKey is FTRYEIPIXQTLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)7-10-5-4-8(3,9)11-7/h4-6H,9H2,1-3H3,(H,10,11).
What are the key properties of 4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine?
4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine has a molecular weight of 153.23 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine is sourced from PubChem (CID 129239359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).