6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine

C13H22N4 — CID 79088810

IUPAC6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(CN(C)C)n1
InChIInChI=1S/C13H22N4/c1-4-7-14-12-8-11(10-5-6-10)15-13(16-12)9-17(2)3/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyZXISPKVQFSXBCH-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.24
Rot. Bonds6

About 6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine

6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine (PubChem CID 79088810) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
PubChem CID79088810
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(CN(C)C)n1
InChIInChI=1S/C13H22N4/c1-4-7-14-12-8-11(10-5-6-10)15-13(16-12)9-17(2)3/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyZXISPKVQFSXBCH-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine (CID 79088810) is 6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine is CCCNc1cc(C2CC2)nc(CN(C)C)n1.
What is the InChIKey of 6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is ZXISPKVQFSXBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-7-14-12-8-11(10-5-6-10)15-13(16-12)9-17(2)3/h8,10H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79088810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).