5-(1-aminoethyl)-4-methylpyrimidin-2-amine

C7H12N4 — CID 43810924

IUPAC5-(1-aminoethyl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1C(C)N
InChIInChI=1S/C7H12N4/c1-4(8)6-3-10-7(9)11-5(6)2/h3-4H,8H2,1-2H3,(H2,9,10,11)
InChIKeyGMVWRTAXMQPIBG-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.39
Rot. Bonds1

About 5-(1-aminoethyl)-4-methylpyrimidin-2-amine

5-(1-aminoethyl)-4-methylpyrimidin-2-amine (PubChem CID 43810924) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-(1-aminoethyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-4-methylpyrimidin-2-amine
PubChem CID43810924
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-(1-aminoethyl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1C(C)N
InChIInChI=1S/C7H12N4/c1-4(8)6-3-10-7(9)11-5(6)2/h3-4H,8H2,1-2H3,(H2,9,10,11)
InChIKeyGMVWRTAXMQPIBG-UHFFFAOYSA-N
XLogP0.39
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-(1-aminoethyl)-4-methylpyrimidin-2-amine (CID 43810924) is 5-(1-aminoethyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-4-methylpyrimidin-2-amine is Cc1nc(N)ncc1C(C)N.
What is the InChIKey of 5-(1-aminoethyl)-4-methylpyrimidin-2-amine?
The InChIKey is GMVWRTAXMQPIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-4(8)6-3-10-7(9)11-5(6)2/h3-4H,8H2,1-2H3,(H2,9,10,11).
What are the key properties of 5-(1-aminoethyl)-4-methylpyrimidin-2-amine?
5-(1-aminoethyl)-4-methylpyrimidin-2-amine has a molecular weight of 152.20 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 43810924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).