4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine

C10H12N4O — CID 80766445

IUPAC4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCc1ccco1
InChIInChI=1S/C10H12N4O/c1-7-9(11)13-6-14-10(7)12-5-8-3-2-4-15-8/h2-4,6H,5H2,1H3,(H3,11,12,13,14)
InChIKeyHBHFSFNYXLGCKM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.57
Rot. Bonds3

About 4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine

4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80766445) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80766445
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCc1ccco1
InChIInChI=1S/C10H12N4O/c1-7-9(11)13-6-14-10(7)12-5-8-3-2-4-15-8/h2-4,6H,5H2,1H3,(H3,11,12,13,14)
InChIKeyHBHFSFNYXLGCKM-UHFFFAOYSA-N
XLogP1.57
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine (CID 80766445) is 4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine is Cc1c(N)ncnc1NCc1ccco1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is HBHFSFNYXLGCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-9(11)13-6-14-10(7)12-5-8-3-2-4-15-8/h2-4,6H,5H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine?
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 204.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80766445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).