6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine

C7H14N4 — CID 135136382

IUPAC6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine
SMILESCC(N)C1=CC(C)(N)N=CN1
InChIInChI=1S/C7H14N4/c1-5(8)6-3-7(2,9)11-4-10-6/h3-5H,8-9H2,1-2H3,(H,10,11)
InChIKeyTWRQTLDUGIWWJU-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.48
Rot. Bonds1

About 6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine

6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine (PubChem CID 135136382) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine
PubChem CID135136382
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine
SMILESCC(N)C1=CC(C)(N)N=CN1
InChIInChI=1S/C7H14N4/c1-5(8)6-3-7(2,9)11-4-10-6/h3-5H,8-9H2,1-2H3,(H,10,11)
InChIKeyTWRQTLDUGIWWJU-UHFFFAOYSA-N
XLogP-0.48
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine?
The IUPAC name of 6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine (CID 135136382) is 6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine.
What is the SMILES notation for 6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine?
The canonical SMILES for 6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine is CC(N)C1=CC(C)(N)N=CN1.
What is the InChIKey of 6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine?
The InChIKey is TWRQTLDUGIWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-5(8)6-3-7(2,9)11-4-10-6/h3-5H,8-9H2,1-2H3,(H,10,11).
What are the key properties of 6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine?
6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine has a molecular weight of 154.22 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine is sourced from PubChem (CID 135136382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).