2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine

C13H23N3O — CID 80989654

IUPAC2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(OCCC)c1C
InChIInChI=1S/C13H23N3O/c1-5-8-14-12-10(4)13(17-9-6-2)16-11(7-3)15-12/h5-9H2,1-4H3,(H,14,15,16)
InChIKeyCPNHJIRZUYHVGZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.96
Rot. Bonds7

About 2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine

2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine (PubChem CID 80989654) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
PubChem CID80989654
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(OCCC)c1C
InChIInChI=1S/C13H23N3O/c1-5-8-14-12-10(4)13(17-9-6-2)16-11(7-3)15-12/h5-9H2,1-4H3,(H,14,15,16)
InChIKeyCPNHJIRZUYHVGZ-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146
2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80988030
2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
CID 80989305
5-methyl-6-(2-propan-2-yloxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80988691
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80989749

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine (CID 80989654) is 2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine is CCCNc1nc(CC)nc(OCCC)c1C.
What is the InChIKey of 2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine?
The InChIKey is CPNHJIRZUYHVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-8-14-12-10(4)13(17-9-6-2)16-11(7-3)15-12/h5-9H2,1-4H3,(H,14,15,16).
What are the key properties of 2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine?
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80989654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).