4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine

C14H20N4O — CID 80955078

IUPAC4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C14H20N4O/c1-4-5-13-16-12(15)8-14(17-13)18(3)9-11-6-7-19-10(11)2/h6-8H,4-5,9H2,1-3H3,(H2,15,16,17)
InChIKeyREUVSQKOYTTZPR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.55
Rot. Bonds5

About 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine

4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80955078) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80955078
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C14H20N4O/c1-4-5-13-16-12(15)8-14(17-13)18(3)9-11-6-7-19-10(11)2/h6-8H,4-5,9H2,1-3H3,(H2,15,16,17)
InChIKeyREUVSQKOYTTZPR-UHFFFAOYSA-N
XLogP2.55
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80955078) is 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(N(C)Cc2ccoc2C)n1.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is REUVSQKOYTTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-5-13-16-12(15)8-14(17-13)18(3)9-11-6-7-19-10(11)2/h6-8H,4-5,9H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).