N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine

C12H21N3O2 — CID 66329609

IUPACN-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCOCCC(C)Nc1cc(OC(C)C)ncn1
InChIInChI=1S/C12H21N3O2/c1-9(2)17-12-7-11(13-8-14-12)15-10(3)5-6-16-4/h7-10H,5-6H2,1-4H3,(H,13,14,15)
InChIKeySELJUUNYONDSBD-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.10
Rot. Bonds7

About N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine

N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66329609) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66329609
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCOCCC(C)Nc1cc(OC(C)C)ncn1
InChIInChI=1S/C12H21N3O2/c1-9(2)17-12-7-11(13-8-14-12)15-10(3)5-6-16-4/h7-10H,5-6H2,1-4H3,(H,13,14,15)
InChIKeySELJUUNYONDSBD-UHFFFAOYSA-N
XLogP2.10
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 78929961
1-N,1-N-dimethyl-2-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,2-diamine
CID 82938650
5-methoxy-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 81078957
N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972875
N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330794
6-propan-2-yloxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 66329378
N-(4-methoxybutan-2-yl)-4-methylpyridin-2-amine
CID 64604062
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide
CID 66329750
1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
CID 66328407
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine (CID 66329609) is N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine is COCCC(C)Nc1cc(OC(C)C)ncn1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is SELJUUNYONDSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)17-12-7-11(13-8-14-12)15-10(3)5-6-16-4/h7-10H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine?
N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66329609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).