N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine

C13H22N4O — CID 112634666

IUPACN'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine
SMILESCCOc1cc(C)nc(N(CCCN)C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-18-12-9-10(2)15-13(16-12)17(8-4-7-14)11-5-6-11/h9,11H,3-8,14H2,1-2H3
InChIKeyASHYGAHBZVNJFE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.50
Rot. Bonds7

About N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine

N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine (PubChem CID 112634666) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine
PubChem CID112634666
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine
SMILESCCOc1cc(C)nc(N(CCCN)C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-18-12-9-10(2)15-13(16-12)17(8-4-7-14)11-5-6-11/h9,11H,3-8,14H2,1-2H3
InChIKeyASHYGAHBZVNJFE-UHFFFAOYSA-N
XLogP1.50
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclobutyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 102874546
N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine
CID 102871414
N'-cyclobutyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 102874839
N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine
CID 66317669
N-[2-(aminomethyl)cyclopentyl]-4-ethoxy-N,6-dimethylpyrimidin-2-amine
CID 112635004
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 62785297
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352
4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 115973542
4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 115975442
N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112635016
N-butyl-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620371

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine (CID 112634666) is N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine is CCOc1cc(C)nc(N(CCCN)C2CC2)n1.
What is the InChIKey of N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is ASHYGAHBZVNJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-18-12-9-10(2)15-13(16-12)17(8-4-7-14)11-5-6-11/h9,11H,3-8,14H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine?
N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 112634666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).