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

C10H18N4 — CID 79089264

IUPAC2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(CN(C)C)n1
InChIInChI=1S/C10H18N4/c1-4-6-11-9-5-7-12-10(13-9)8-14(2)3/h5,7H,4,6,8H2,1-3H3,(H,11,12,13)
InChIKeyATHIEFLCHAWHJV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.36
Rot. Bonds5

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

2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine (PubChem CID 79089264) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
PubChem CID79089264
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(CN(C)C)n1
InChIInChI=1S/C10H18N4/c1-4-6-11-9-5-7-12-10(13-9)8-14(2)3/h5,7H,4,6,8H2,1-3H3,(H,11,12,13)
InChIKeyATHIEFLCHAWHJV-UHFFFAOYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine (CID 79089264) is 2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine is CCCNc1ccnc(CN(C)C)n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is ATHIEFLCHAWHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-6-11-9-5-7-12-10(13-9)8-14(2)3/h5,7H,4,6,8H2,1-3H3,(H,11,12,13).
What are the key properties of 2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79089264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).