1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine

C12H22N4 — CID 82939032

IUPAC1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
SMILESCC(CN(C)C)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C12H22N4/c1-9(2)11-6-12(14-8-13-11)15-10(3)7-16(4)5/h6,8-10H,7H2,1-5H3,(H,13,14,15)
InChIKeyNZINLSIJIYTFIB-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.96
Rot. Bonds5

About 1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine

1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine (PubChem CID 82939032) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
PubChem CID82939032
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
SMILESCC(CN(C)C)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C12H22N4/c1-9(2)11-6-12(14-8-13-11)15-10(3)7-16(4)5/h6,8-10H,7H2,1-5H3,(H,13,14,15)
InChIKeyNZINLSIJIYTFIB-UHFFFAOYSA-N
XLogP1.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine (CID 82939032) is 1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine is CC(CN(C)C)Nc1cc(C(C)C)ncn1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is NZINLSIJIYTFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)11-6-12(14-8-13-11)15-10(3)7-16(4)5/h6,8-10H,7H2,1-5H3,(H,13,14,15).
What are the key properties of 1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 82939032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).