2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine

C17H25N5O2 — CID 112887682

IUPAC2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nccc(NCCCN(C)C)n2)c1
InChIInChI=1S/C17H25N5O2/c1-22(2)11-5-9-18-16-8-10-19-17(21-16)20-14-12-13(23-3)6-7-15(14)24-4/h6-8,10,12H,5,9,11H2,1-4H3,(H2,18,19,20,21)
InChIKeyBCVYYZNPGJJNBS-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.60
Rot. Bonds9

About 2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine

2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (PubChem CID 112887682) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
PubChem CID112887682
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nccc(NCCCN(C)C)n2)c1
InChIInChI=1S/C17H25N5O2/c1-22(2)11-5-9-18-16-8-10-19-17(21-16)20-14-12-13(23-3)6-7-15(14)24-4/h6-8,10,12H,5,9,11H2,1-4H3,(H2,18,19,20,21)
InChIKeyBCVYYZNPGJJNBS-UHFFFAOYSA-N
XLogP2.60
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881863
4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886297
2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893230
2-N-(2,5-dimethoxyphenyl)-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891459
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 23652592
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
4-N-[3-(dimethylamino)propyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887704
4-N-cyclopropyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112882303
4-N-[4-(diethylamino)phenyl]-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112905309
4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884245
2-N-(2,5-dimethoxyphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903194
4-N-[3-(dimethylamino)propyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112887659

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (CID 112887682) is 2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is COc1ccc(OC)c(Nc2nccc(NCCCN(C)C)n2)c1.
What is the InChIKey of 2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The InChIKey is BCVYYZNPGJJNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-22(2)11-5-9-18-16-8-10-19-17(21-16)20-14-12-13(23-3)6-7-15(14)24-4/h6-8,10,12H,5,9,11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine has a molecular weight of 331.42 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112887682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).