6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine

C12H21N3O2 — CID 80990509

IUPAC6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(OC(C)COC)n1
InChIInChI=1S/C12H21N3O2/c1-5-6-10-14-11(13)9(3)12(15-10)17-8(2)7-16-4/h8H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyNDPLZRQAHBDPBC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.73
Rot. Bonds6

About 6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine

6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80990509) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80990509
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(OC(C)COC)n1
InChIInChI=1S/C12H21N3O2/c1-5-6-10-14-11(13)9(3)12(15-10)17-8(2)7-16-4/h8H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyNDPLZRQAHBDPBC-UHFFFAOYSA-N
XLogP1.73
TPSA70.26 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988067
6-butoxy-5-methyl-2-propylpyrimidin-4-amine
CID 80989223
2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxyethanol
CID 80989436
2-ethyl-5-methyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988352
5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine
CID 80988014
5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794553
5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80989825
6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456103
2-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 80988448
5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
CID 102989455
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669

Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine (CID 80990509) is 6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(OC(C)COC)n1.
What is the InChIKey of 6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is NDPLZRQAHBDPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-6-10-14-11(13)9(3)12(15-10)17-8(2)7-16-4/h8H,5-7H2,1-4H3,(H2,13,14,15).
What are the key properties of 6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine?
6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80990509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).