N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine

C13H24N4O — CID 112635420

IUPACN'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(OC(C)C)nc(N(CCN)C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-9(2)17(7-6-14)13-15-11(5)8-12(16-13)18-10(3)4/h8-10H,6-7,14H2,1-5H3
InChIKeyDYIQCNARZJSMJP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.75
Rot. Bonds6

About N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine

N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 112635420) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID112635420
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(OC(C)C)nc(N(CCN)C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-9(2)17(7-6-14)13-15-11(5)8-12(16-13)18-10(3)4/h8-10H,6-7,14H2,1-5H3
InChIKeyDYIQCNARZJSMJP-UHFFFAOYSA-N
XLogP1.75
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494359
N'-cyclobutyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 102874839
N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107207107
N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 112636280
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol
CID 107541812
N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635531
4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
CID 112634351
2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine
CID 115973290
methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
CID 115973708
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048616
2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid
CID 115973161
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 115355774

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine (CID 112635420) is N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine is Cc1cc(OC(C)C)nc(N(CCN)C(C)C)n1.
What is the InChIKey of N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is DYIQCNARZJSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)17(7-6-14)13-15-11(5)8-12(16-13)18-10(3)4/h8-10H,6-7,14H2,1-5H3.
What are the key properties of N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine?
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 112635420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).