N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine

C14H26N4O — CID 107207107

IUPACN'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
SMILESCc1cc(OC(C)C)nc(N(C)CCCCCN)n1
InChIInChI=1S/C14H26N4O/c1-11(2)19-13-10-12(3)16-14(17-13)18(4)9-7-5-6-8-15/h10-11H,5-9,15H2,1-4H3
InChIKeyFRKLWBQWTYPKHV-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.14
Rot. Bonds8

About N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine

N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine (PubChem CID 107207107) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
PubChem CID107207107
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
SMILESCc1cc(OC(C)C)nc(N(C)CCCCCN)n1
InChIInChI=1S/C14H26N4O/c1-11(2)19-13-10-12(3)16-14(17-13)18(4)9-7-5-6-8-15/h10-11H,5-9,15H2,1-4H3
InChIKeyFRKLWBQWTYPKHV-UHFFFAOYSA-N
XLogP2.14
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
CID 112634351
methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
CID 115973708
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 112635420
N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635531
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'-(4-cyclopropyl-6-methylpyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 83837979
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048616
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine
CID 115973290
N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine
CID 112635692
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine (CID 107207107) is N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine is Cc1cc(OC(C)C)nc(N(C)CCCCCN)n1.
What is the InChIKey of N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
The InChIKey is FRKLWBQWTYPKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)19-13-10-12(3)16-14(17-13)18(4)9-7-5-6-8-15/h10-11H,5-9,15H2,1-4H3.
What are the key properties of N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 107207107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).