N-propan-2-yl-1,4-dihydropyrimidin-2-amine

C7H13N3 — CID 165400339

IUPACN-propan-2-yl-1,4-dihydropyrimidin-2-amine
SMILESCC(C)NC1=NCC=CN1
InChIInChI=1S/C7H13N3/c1-6(2)10-7-8-4-3-5-9-7/h3-4,6H,5H2,1-2H3,(H2,8,9,10)
InChIKeyLYULYHRPBAFMNY-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.46
Rot. Bonds1

About N-propan-2-yl-1,4-dihydropyrimidin-2-amine

N-propan-2-yl-1,4-dihydropyrimidin-2-amine (PubChem CID 165400339) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-propan-2-yl-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-1,4-dihydropyrimidin-2-amine
PubChem CID165400339
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-propan-2-yl-1,4-dihydropyrimidin-2-amine
SMILESCC(C)NC1=NCC=CN1
InChIInChI=1S/C7H13N3/c1-6(2)10-7-8-4-3-5-9-7/h3-4,6H,5H2,1-2H3,(H2,8,9,10)
InChIKeyLYULYHRPBAFMNY-UHFFFAOYSA-N
XLogP0.46
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,4-dihydropyrimidin-2-amine?
The IUPAC name of N-propan-2-yl-1,4-dihydropyrimidin-2-amine (CID 165400339) is N-propan-2-yl-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for N-propan-2-yl-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for N-propan-2-yl-1,4-dihydropyrimidin-2-amine is CC(C)NC1=NCC=CN1.
What is the InChIKey of N-propan-2-yl-1,4-dihydropyrimidin-2-amine?
The InChIKey is LYULYHRPBAFMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)10-7-8-4-3-5-9-7/h3-4,6H,5H2,1-2H3,(H2,8,9,10).
What are the key properties of N-propan-2-yl-1,4-dihydropyrimidin-2-amine?
N-propan-2-yl-1,4-dihydropyrimidin-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 165400339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).