2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine

C14H18N4O — CID 80658148

IUPAC2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN(Cc2ccco2)C2CC2)n1
InChIInChI=1S/C14H18N4O/c1-10-7-13(15)17-14(16-10)9-18(11-4-5-11)8-12-3-2-6-19-12/h2-3,6-7,11H,4-5,8-9H2,1H3,(H2,15,16,17)
InChIKeyYRCZJDOTINOYSQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.12
Rot. Bonds5

About 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine

2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine (PubChem CID 80658148) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
PubChem CID80658148
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN(Cc2ccco2)C2CC2)n1
InChIInChI=1S/C14H18N4O/c1-10-7-13(15)17-14(16-10)9-18(11-4-5-11)8-12-3-2-6-19-12/h2-3,6-7,11H,4-5,8-9H2,1H3,(H2,15,16,17)
InChIKeyYRCZJDOTINOYSQ-UHFFFAOYSA-N
XLogP2.12
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine (CID 80658148) is 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(CN(Cc2ccco2)C2CC2)n1.
What is the InChIKey of 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is YRCZJDOTINOYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-7-13(15)17-14(16-10)9-18(11-4-5-11)8-12-3-2-6-19-12/h2-3,6-7,11H,4-5,8-9H2,1H3,(H2,15,16,17).
What are the key properties of 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine?
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80658148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).