N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine

C16H23N3O3 — CID 82458125

IUPACN-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NCc2ccco2)nc(CC(C)C)n1
InChIInChI=1S/C16H23N3O3/c1-12(2)9-15-18-14(17-11-13-5-4-6-21-13)10-16(19-15)22-8-7-20-3/h4-6,10,12H,7-9,11H2,1-3H3,(H,17,18,19)
InChIKeyZMJNMUSRVNCUNT-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.91
Rot. Bonds9

About N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine

N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 82458125) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine
PubChem CID82458125
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NCc2ccco2)nc(CC(C)C)n1
InChIInChI=1S/C16H23N3O3/c1-12(2)9-15-18-14(17-11-13-5-4-6-21-13)10-16(19-15)22-8-7-20-3/h4-6,10,12H,7-9,11H2,1-3H3,(H,17,18,19)
InChIKeyZMJNMUSRVNCUNT-UHFFFAOYSA-N
XLogP2.91
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456733
2-ethyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82454475
2-tert-butyl-N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456929
6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 82456516
6-(2-methoxyethoxy)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82454499
2-ethyl-N-(furan-2-ylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80937643
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
6-methoxy-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82457957
6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine
CID 82458102
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82458025
N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688437

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine (CID 82458125) is N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine is COCCOc1cc(NCc2ccco2)nc(CC(C)C)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is ZMJNMUSRVNCUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)9-15-18-14(17-11-13-5-4-6-21-13)10-16(19-15)22-8-7-20-3/h4-6,10,12H,7-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine?
N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 82458125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).