N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine

C16H21N3O — CID 80872107

IUPACN-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OCCCc2ccccc2)c1C
InChIInChI=1S/C16H21N3O/c1-3-17-15-13(2)16(19-12-18-15)20-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,18,19)
InChIKeyKNCKAVXJNDNKDM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.23
Rot. Bonds7

About N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine

N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine (PubChem CID 80872107) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine
PubChem CID80872107
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OCCCc2ccccc2)c1C
InChIInChI=1S/C16H21N3O/c1-3-17-15-13(2)16(19-12-18-15)20-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,18,19)
InChIKeyKNCKAVXJNDNKDM-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-methyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80865448
6-methoxy-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66327861
N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 104568195
6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine
CID 106795508
N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80879887
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 66326429
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
6-(cyclohexylmethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80880319
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine (CID 80872107) is N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine is CCNc1ncnc(OCCCc2ccccc2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine?
The InChIKey is KNCKAVXJNDNKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-17-15-13(2)16(19-12-18-15)20-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine?
N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80872107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).