4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine

C15H22N4O3 — CID 82458649

IUPAC4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCOCc1nc(NCc2ccco2)c(N)c(OCC(C)C)n1
InChIInChI=1S/C15H22N4O3/c1-10(2)8-22-15-13(16)14(18-12(19-15)9-20-3)17-7-11-5-4-6-21-11/h4-6,10H,7-9,16H2,1-3H3,(H,17,18,19)
InChIKeyBMBYFWQWNBNSTM-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.45
Rot. Bonds8

About 4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine

4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82458649) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82458649
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCOCc1nc(NCc2ccco2)c(N)c(OCC(C)C)n1
InChIInChI=1S/C15H22N4O3/c1-10(2)8-22-15-13(16)14(18-12(19-15)9-20-3)17-7-11-5-4-6-21-11/h4-6,10H,7-9,16H2,1-3H3,(H,17,18,19)
InChIKeyBMBYFWQWNBNSTM-UHFFFAOYSA-N
XLogP2.45
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455196
2-(methoxymethyl)-6-(2-methylpropoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82458642
6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455871
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-methoxypyrimidine-4,5-diamine
CID 82458716
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456733
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
CID 82458634
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458569
2-N-ethyl-2-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 61423455

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82458649) is 4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine is COCc1nc(NCc2ccco2)c(N)c(OCC(C)C)n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is BMBYFWQWNBNSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)8-22-15-13(16)14(18-12(19-15)9-20-3)17-7-11-5-4-6-21-11/h4-6,10H,7-9,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 306.37 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).