2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine

C9H16N4 — CID 82503810

IUPAC2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine
SMILESCc1nccc(N(C)C(C)CN)n1
InChIInChI=1S/C9H16N4/c1-7(6-10)13(3)9-4-5-11-8(2)12-9/h4-5,7H,6,10H2,1-3H3
InChIKeyHUTBLTPTMYIPBD-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.57
Rot. Bonds3

About 2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine

2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine (PubChem CID 82503810) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine
PubChem CID82503810
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine
SMILESCc1nccc(N(C)C(C)CN)n1
InChIInChI=1S/C9H16N4/c1-7(6-10)13(3)9-4-5-11-8(2)12-9/h4-5,7H,6,10H2,1-3H3
InChIKeyHUTBLTPTMYIPBD-UHFFFAOYSA-N
XLogP0.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 104555444
2-N-methyl-2-N-([1,2]thiazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine
CID 83838938
2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
CID 83834831
N'-(2-methylpropyl)-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 62785653
2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine
CID 83837814
N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine
CID 62970102
2-N-(4-ethoxypyrimidin-2-yl)-2-N-methylpropane-1,2-diamine
CID 104556767
N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 107493991
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
3-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]butanethioamide
CID 64830447
2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine
CID 83833362
3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine
CID 63225571

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine (CID 82503810) is 2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine is Cc1nccc(N(C)C(C)CN)n1.
What is the InChIKey of 2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is HUTBLTPTMYIPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(6-10)13(3)9-4-5-11-8(2)12-9/h4-5,7H,6,10H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine?
2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 82503810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).