N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine

C12H21N3O2 — CID 102698965

IUPACN-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCOC(C)CNc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-8(2)17-11-6-9(3)14-12(15-11)13-7-10(4)16-5/h6,8,10H,7H2,1-5H3,(H,13,14,15)
InChIKeyKSMNKDUQVADQPT-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.02
Rot. Bonds6

About N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine

N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 102698965) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID102698965
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCOC(C)CNc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-8(2)17-11-6-9(3)14-12(15-11)13-7-10(4)16-5/h6,8,10H,7H2,1-5H3,(H,13,14,15)
InChIKeyKSMNKDUQVADQPT-UHFFFAOYSA-N
XLogP2.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
CID 107159428
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
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
4-butan-2-yloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80866608
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048616
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 102698965) is N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine is COC(C)CNc1nc(C)cc(OC(C)C)n1.
What is the InChIKey of N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is KSMNKDUQVADQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)17-11-6-9(3)14-12(15-11)13-7-10(4)16-5/h6,8,10H,7H2,1-5H3,(H,13,14,15).
What are the key properties of N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 102698965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).