4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C13H18N4O — CID 80796546

IUPAC4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1N(C)Cc1ccoc1
InChIInChI=1S/C13H18N4O/c1-9(2)11-12(14)15-8-16-13(11)17(3)6-10-4-5-18-7-10/h4-5,7-9H,6H2,1-3H3,(H2,14,15,16)
InChIKeyJXUOTYYSVYMJIK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds4

About 4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80796546) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80796546
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1N(C)Cc1ccoc1
InChIInChI=1S/C13H18N4O/c1-9(2)11-12(14)15-8-16-13(11)17(3)6-10-4-5-18-7-10/h4-5,7-9H,6H2,1-3H3,(H2,14,15,16)
InChIKeyJXUOTYYSVYMJIK-UHFFFAOYSA-N
XLogP2.41
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632
4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796579
5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine
CID 80634374
4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847885
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80753994
6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine
CID 55035481
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986494
3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
CID 106876742
3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856418

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80796546) is 4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1N(C)Cc1ccoc1.
What is the InChIKey of 4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is JXUOTYYSVYMJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)11-12(14)15-8-16-13(11)17(3)6-10-4-5-18-7-10/h4-5,7-9H,6H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80796546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).