2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C12H22N4 — CID 79088187

IUPAC2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(CN(C)C)nc(C)c1C(C)CN
InChIInChI=1S/C12H22N4/c1-8(6-13)12-9(2)14-11(7-16(4)5)15-10(12)3/h8H,6-7,13H2,1-5H3
InChIKeyVMRJPPFYQMSBIZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.22
Rot. Bonds4

About 2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine

2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 79088187) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID79088187
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(CN(C)C)nc(C)c1C(C)CN
InChIInChI=1S/C12H22N4/c1-8(6-13)12-9(2)14-11(7-16(4)5)15-10(12)3/h8H,6-7,13H2,1-5H3
InChIKeyVMRJPPFYQMSBIZ-UHFFFAOYSA-N
XLogP1.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 79088187) is 2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine is Cc1nc(CN(C)C)nc(C)c1C(C)CN.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is VMRJPPFYQMSBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8(6-13)12-9(2)14-11(7-16(4)5)15-10(12)3/h8H,6-7,13H2,1-5H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 79088187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).