N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine

C16H21N3O2 — CID 115915852

IUPACN-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
SMILESCNc1cc(OCCOC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O2/c1-12(2)20-9-10-21-15-11-14(17-3)18-16(19-15)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,18,19)
InChIKeyMVRKGFRRNBEJCZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.99
Rot. Bonds7

About N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine

N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine (PubChem CID 115915852) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
PubChem CID115915852
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
SMILESCNc1cc(OCCOC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O2/c1-12(2)20-9-10-21-15-11-14(17-3)18-16(19-15)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,18,19)
InChIKeyMVRKGFRRNBEJCZ-UHFFFAOYSA-N
XLogP2.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
CID 115915818
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915871
N-methyl-2-phenyl-6-propan-2-yloxypyrimidin-4-amine
CID 112559886
2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80941741
6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine
CID 112559905
N-methyl-6-(2-propan-2-yloxyethoxy)pyridin-2-amine
CID 80860052
6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 103491721
6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915948
[6-(2-ethoxyethoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916297
[2-phenyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
CID 115916312
N-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine (CID 115915852) is N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine is CNc1cc(OCCOC(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
The InChIKey is MVRKGFRRNBEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)20-9-10-21-15-11-14(17-3)18-16(19-15)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine is sourced from PubChem (CID 115915852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).