1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine

C7H15N3 — CID 21054625

IUPAC1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(C)N1CCCN=C1N
InChIInChI=1S/C7H15N3/c1-6(2)10-5-3-4-9-7(10)8/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyZIYWABSCMJYMAO-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.42
Rot. Bonds1

About 1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine

1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 21054625) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID21054625
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(C)N1CCCN=C1N
InChIInChI=1S/C7H15N3/c1-6(2)10-5-3-4-9-7(10)8/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyZIYWABSCMJYMAO-UHFFFAOYSA-N
XLogP0.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine (CID 21054625) is 1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine is CC(C)N1CCCN=C1N.
What is the InChIKey of 1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is ZIYWABSCMJYMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-6(2)10-5-3-4-9-7(10)8/h6H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of 1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine?
1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 141.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 21054625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).