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

C12H22N4O — CID 112635096

IUPAC2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
SMILESCCCOc1cc(C)nc(NCC(C)(C)N)n1
InChIInChI=1S/C12H22N4O/c1-5-6-17-10-7-9(2)15-11(16-10)14-8-12(3,4)13/h7H,5-6,8,13H2,1-4H3,(H,14,15,16)
InChIKeyNBZAAOXXROMIIE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.72
Rot. Bonds6

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

2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine (PubChem CID 112635096) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
PubChem CID112635096
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
SMILESCCCOc1cc(C)nc(NCC(C)(C)N)n1
InChIInChI=1S/C12H22N4O/c1-5-6-17-10-7-9(2)15-11(16-10)14-8-12(3,4)13/h7H,5-6,8,13H2,1-4H3,(H,14,15,16)
InChIKeyNBZAAOXXROMIIE-UHFFFAOYSA-N
XLogP1.72
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112636987
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112638235
N-[3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 106337209
N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106308368
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106374140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine (CID 112635096) is 2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine is CCCOc1cc(C)nc(NCC(C)(C)N)n1.
What is the InChIKey of 2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is NBZAAOXXROMIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-17-10-7-9(2)15-11(16-10)14-8-12(3,4)13/h7H,5-6,8,13H2,1-4H3,(H,14,15,16).
What are the key properties of 2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine?
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 112635096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).