2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine

C9H16N4 — CID 63732356

IUPAC2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
SMILESCc1cc(C)nc(NC(C)CN)n1
InChIInChI=1S/C9H16N4/c1-6-4-7(2)12-9(11-6)13-8(3)5-10/h4,8H,5,10H2,1-3H3,(H,11,12,13)
InChIKeyOZOLKTQMAKUBEJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.85
Rot. Bonds3

About 2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine

2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine (PubChem CID 63732356) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
PubChem CID63732356
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
SMILESCc1cc(C)nc(NC(C)CN)n1
InChIInChI=1S/C9H16N4/c1-6-4-7(2)12-9(11-6)13-8(3)5-10/h4,8H,5,10H2,1-3H3,(H,11,12,13)
InChIKeyOZOLKTQMAKUBEJ-UHFFFAOYSA-N
XLogP0.85
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine
CID 65192439
2-N-(2,6-dimethyl-4-pyridinyl)propane-1,2-diamine
CID 66835421
4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 43518888
N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 115774227
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106
1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 106738262
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
4,6-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyrimidin-2-amine
CID 95129567
2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide
CID 63731943
2-N-(7-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine
CID 83833723
2-[1-(diethylamino)propan-2-ylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547215

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine (CID 63732356) is 2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine is Cc1cc(C)nc(NC(C)CN)n1.
What is the InChIKey of 2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is OZOLKTQMAKUBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6-4-7(2)12-9(11-6)13-8(3)5-10/h4,8H,5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine?
2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 63732356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).