3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine

C14H26N4O — CID 106165726

IUPAC3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine
SMILESCCC(C)(CCN)Nc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C14H26N4O/c1-6-14(5,7-8-15)18-13-16-11(4)9-12(17-13)19-10(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17,18)
InChIKeyYQRIVVBLZKFJSH-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.50
Rot. Bonds7

About 3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine

3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine (PubChem CID 106165726) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine
PubChem CID106165726
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine
SMILESCCC(C)(CCN)Nc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C14H26N4O/c1-6-14(5,7-8-15)18-13-16-11(4)9-12(17-13)19-10(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17,18)
InChIKeyYQRIVVBLZKFJSH-UHFFFAOYSA-N
XLogP2.50
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635636
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
methyl 2-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoate
CID 115973686
2-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbutane-1,2-diamine
CID 64549694
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900
3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol
CID 106177820
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
CID 107159428
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine (CID 106165726) is 3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine is CCC(C)(CCN)Nc1nc(C)cc(OC(C)C)n1.
What is the InChIKey of 3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine?
The InChIKey is YQRIVVBLZKFJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-14(5,7-8-15)18-13-16-11(4)9-12(17-13)19-10(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17,18).
What are the key properties of 3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine?
3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine is sourced from PubChem (CID 106165726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).