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

C15H22N4O — CID 112915169

IUPAC2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(NCc2ccco2)n1
InChIInChI=1S/C15H22N4O/c1-4-5-8-19(3)15-17-12(2)10-14(18-15)16-11-13-7-6-9-20-13/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,16,17,18)
InChIKeyJHROWIKGNFDEMS-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.23
Rot. Bonds7

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

2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112915169) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112915169
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(NCc2ccco2)n1
InChIInChI=1S/C15H22N4O/c1-4-5-8-19(3)15-17-12(2)10-14(18-15)16-11-13-7-6-9-20-13/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,16,17,18)
InChIKeyJHROWIKGNFDEMS-UHFFFAOYSA-N
XLogP3.23
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-butyl-3-N-(furan-2-ylmethyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112947400
4-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889124
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915116
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129
2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925744
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925722
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
5-N-(furan-2-ylmethyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112947192
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925782
2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915282

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 112915169) is 2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine is CCCCN(C)c1nc(C)cc(NCc2ccco2)n1.
What is the InChIKey of 2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is JHROWIKGNFDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-5-8-19(3)15-17-12(2)10-14(18-15)16-11-13-7-6-9-20-13/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,16,17,18).
What are the key properties of 2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).