5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine

C15H23N5O2 — CID 167262818

IUPAC5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine
SMILESCOc1cc(NC2=CNC(N)=NC2N)c(C(C)C)cc1OC
InChIInChI=1S/C15H23N5O2/c1-8(2)9-5-12(21-3)13(22-4)6-10(9)19-11-7-18-15(17)20-14(11)16/h5-8,14,19H,16H2,1-4H3,(H3,17,18,20)
InChIKeyJMRJKEJYIOAREC-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.28
Rot. Bonds5

About 5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine

5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine (PubChem CID 167262818) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine
PubChem CID167262818
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine
SMILESCOc1cc(NC2=CNC(N)=NC2N)c(C(C)C)cc1OC
InChIInChI=1S/C15H23N5O2/c1-8(2)9-5-12(21-3)13(22-4)6-10(9)19-11-7-18-15(17)20-14(11)16/h5-8,14,19H,16H2,1-4H3,(H3,17,18,20)
InChIKeyJMRJKEJYIOAREC-UHFFFAOYSA-N
XLogP1.28
TPSA106.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine
CID 59598775
5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine
CID 130474374
aniline;4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine;5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-4-N-phenylpyrimidine-2,4-diamine
CID 158859870
5-[(2,4-diaminopyrimidin-5-yl)amino]-2-methoxy-4-propan-2-ylbenzenesulfinate
CID 130474359
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
4,5-dimethoxy-2-propan-2-ylbenzenethiol
CID 130436084
1-(disulfanyl)-2,5-dimethoxy-4-propan-2-ylbenzene
CID 134182107
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane
CID 167009841
4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
CID 146675441
2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine
CID 118242303
5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117476497

Frequently Asked Questions

What is the IUPAC name of 5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine?
The IUPAC name of 5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine (CID 167262818) is 5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine.
What is the SMILES notation for 5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine?
The canonical SMILES for 5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine is COc1cc(NC2=CNC(N)=NC2N)c(C(C)C)cc1OC.
What is the InChIKey of 5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine?
The InChIKey is JMRJKEJYIOAREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-8(2)9-5-12(21-3)13(22-4)6-10(9)19-11-7-18-15(17)20-14(11)16/h5-8,14,19H,16H2,1-4H3,(H3,17,18,20).
What are the key properties of 5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine?
5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine has a molecular weight of 305.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine is sourced from PubChem (CID 167262818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).