2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

C14H20N4O — CID 80987787

IUPAC2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(N(C)Cc2ccoc2)n1
InChIInChI=1S/C14H20N4O/c1-5-12-16-13(15-3)10(2)14(17-12)18(4)8-11-6-7-19-9-11/h6-7,9H,5,8H2,1-4H3,(H,15,16,17)
InChIKeyRRMIVCCGALTUMT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.62
Rot. Bonds5

About 2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80987787) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
PubChem CID80987787
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(N(C)Cc2ccoc2)n1
InChIInChI=1S/C14H20N4O/c1-5-12-16-13(15-3)10(2)14(17-12)18(4)8-11-6-7-19-9-11/h6-7,9H,5,8H2,1-4H3,(H,15,16,17)
InChIKeyRRMIVCCGALTUMT-UHFFFAOYSA-N
XLogP2.62
TPSA54.19 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80982568
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80995510
2-ethyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80993377
2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986494
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993390
2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986272
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632
4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80985864
N-(furan-3-ylmethyl)-N,2-dimethyl-5-propylpyrimidin-4-amine
CID 135112400
4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80992976
3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
CID 106876742
4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80976304

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (CID 80987787) is 2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(N(C)Cc2ccoc2)n1.
What is the InChIKey of 2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is RRMIVCCGALTUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-5-12-16-13(15-3)10(2)14(17-12)18(4)8-11-6-7-19-9-11/h6-7,9H,5,8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80987787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).