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

C14H26N4O — CID 107159428

IUPAC4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
SMILESCc1cc(OC(C)C)nc(NCC(N)CC(C)C)n1
InChIInChI=1S/C14H26N4O/c1-9(2)6-12(15)8-16-14-17-11(5)7-13(18-14)19-10(3)4/h7,9-10,12H,6,8,15H2,1-5H3,(H,16,17,18)
InChIKeyYKUJEDDLDFFTTB-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.36
Rot. Bonds7

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

4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine (PubChem CID 107159428) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
PubChem CID107159428
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
SMILESCc1cc(OC(C)C)nc(NCC(N)CC(C)C)n1
InChIInChI=1S/C14H26N4O/c1-9(2)6-12(15)8-16-14-17-11(5)7-13(18-14)19-10(3)4/h7,9-10,12H,6,8,15H2,1-5H3,(H,16,17,18)
InChIKeyYKUJEDDLDFFTTB-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637759
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 112637072
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
CID 112638489
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
CID 115973104
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
CID 112637367
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048616

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine?
The IUPAC name of 4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine (CID 107159428) is 4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine is Cc1cc(OC(C)C)nc(NCC(N)CC(C)C)n1.
What is the InChIKey of 4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine?
The InChIKey is YKUJEDDLDFFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-9(2)6-12(15)8-16-14-17-11(5)7-13(18-14)19-10(3)4/h7,9-10,12H,6,8,15H2,1-5H3,(H,16,17,18).
What are the key properties of 4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine?
4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 107159428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).