N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine

C12H19N3O — CID 80988312

IUPACN,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1nc(CC)nc(NCC)c1C
InChIInChI=1S/C12H19N3O/c1-5-8-16-12-9(4)11(13-7-3)14-10(6-2)15-12/h5H,1,6-8H2,2-4H3,(H,13,14,15)
InChIKeyYNLURWFLHPNOAC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.34
Rot. Bonds6

About N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine

N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine (PubChem CID 80988312) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
PubChem CID80988312
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1nc(CC)nc(NCC)c1C
InChIInChI=1S/C12H19N3O/c1-5-8-16-12-9(4)11(13-7-3)14-10(6-2)15-12/h5H,1,6-8H2,2-4H3,(H,13,14,15)
InChIKeyYNLURWFLHPNOAC-UHFFFAOYSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80988663
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417
N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
CID 80989859
N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408396
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine?
The IUPAC name of N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine (CID 80988312) is N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine is C=CCOc1nc(CC)nc(NCC)c1C.
What is the InChIKey of N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine?
The InChIKey is YNLURWFLHPNOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-8-16-12-9(4)11(13-7-3)14-10(6-2)15-12/h5H,1,6-8H2,2-4H3,(H,13,14,15).
What are the key properties of N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine?
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine is sourced from PubChem (CID 80988312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).