4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine

C13H18N4O — CID 112858600

IUPAC4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)Nc1cc(NCc2ccco2)ncn1
InChIInChI=1S/C13H18N4O/c1-13(2,3)17-12-7-11(15-9-16-12)14-8-10-5-4-6-18-10/h4-7,9H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyRUEZXUVOEOISQJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.89
Rot. Bonds4

About 4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine

4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112858600) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112858600
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)Nc1cc(NCc2ccco2)ncn1
InChIInChI=1S/C13H18N4O/c1-13(2,3)17-12-7-11(15-9-16-12)14-8-10-5-4-6-18-10/h4-7,9H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyRUEZXUVOEOISQJ-UHFFFAOYSA-N
XLogP2.89
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858634
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 53015130
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858580
4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858686
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858656
6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112858660
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (CID 112858600) is 4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is CC(C)(C)Nc1cc(NCc2ccco2)ncn1.
What is the InChIKey of 4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is RUEZXUVOEOISQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2,3)17-12-7-11(15-9-16-12)14-8-10-5-4-6-18-10/h4-7,9H,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).