4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine

C17H19N5O3 — CID 19142691

IUPAC4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(OC)c(Nc2ncnc(NCc3ccco3)c2N)c1
InChIInChI=1S/C17H19N5O3/c1-23-11-5-6-14(24-2)13(8-11)22-17-15(18)16(20-10-21-17)19-9-12-4-3-7-25-12/h3-8,10H,9,18H2,1-2H3,(H2,19,20,21,22)
InChIKeyYXPHLZVVMORCNY-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.02
Rot. Bonds7

About 4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine

4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine (PubChem CID 19142691) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
PubChem CID19142691
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(OC)c(Nc2ncnc(NCc3ccco3)c2N)c1
InChIInChI=1S/C17H19N5O3/c1-23-11-5-6-14(24-2)13(8-11)22-17-15(18)16(20-10-21-17)19-9-12-4-3-7-25-12/h3-8,10H,9,18H2,1-2H3,(H2,19,20,21,22)
InChIKeyYXPHLZVVMORCNY-UHFFFAOYSA-N
XLogP3.02
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22546010
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 19146076
4-N-(2-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142555
6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 19146084
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19136939
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
N-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
6-N-[(2-chlorophenyl)methyl]-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142949

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine (CID 19142691) is 4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine is COc1ccc(OC)c(Nc2ncnc(NCc3ccco3)c2N)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The InChIKey is YXPHLZVVMORCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-23-11-5-6-14(24-2)13(8-11)22-17-15(18)16(20-10-21-17)19-9-12-4-3-7-25-12/h3-8,10H,9,18H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine?
4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine has a molecular weight of 341.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).