6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride

C21H25ClN4O — CID 155532752

IUPAC6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(N)c(-c2ccccc2)c(CCCCCOc2ccccc2)n1
InChIInChI=1S/C21H24N4O.ClH/c22-20-19(16-10-4-1-5-11-16)18(24-21(23)25-20)14-8-3-9-15-26-17-12-6-2-7-13-17;/h1-2,4-7,10-13H,3,8-9,14-15H2,(H4,22,23,24,25);1H
InChIKeyVFODYGRBQKXBCR-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.52
Rot. Bonds8

About 6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride

6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride (PubChem CID 155532752) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
PubChem CID155532752
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(N)c(-c2ccccc2)c(CCCCCOc2ccccc2)n1
InChIInChI=1S/C21H24N4O.ClH/c22-20-19(16-10-4-1-5-11-16)18(24-21(23)25-20)14-8-3-9-15-26-17-12-6-2-7-13-17;/h1-2,4-7,10-13H,3,8-9,14-15H2,(H4,22,23,24,25);1H
InChIKeyVFODYGRBQKXBCR-UHFFFAOYSA-N
XLogP4.52
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-(2,6-diamino-5-phenylpyrimidin-4-yl)butoxy]phenoxy]butanoic acid;hydrochloride
CID 155552687
3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate
CID 11369668
4-[7-(4-methylphenoxy)heptyl]quinazolin-2-amine
CID 154005030
6-methyl-5-(4-phenoxybutoxy)pyrimidine-2,4-diamine;hydrate;hydrochloride
CID 44522577
6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine
CID 177378760
5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine
CID 19705095
4-(5-phenoxypentyl)pyridine
CID 117060417
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
4-(3-phenoxypropyl)-1,2,5-oxadiazol-3-amine
CID 82358377
4-[3-(4-chlorophenoxy)propyl]quinazolin-2-amine
CID 154004906
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
2-(5-phenoxypentyl)pyridine;hydrochloride
CID 117067687

Frequently Asked Questions

What is the IUPAC name of 6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride (CID 155532752) is 6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride is Cl.Nc1nc(N)c(-c2ccccc2)c(CCCCCOc2ccccc2)n1.
What is the InChIKey of 6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride?
The InChIKey is VFODYGRBQKXBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O.ClH/c22-20-19(16-10-4-1-5-11-16)18(24-21(23)25-20)14-8-3-9-15-26-17-12-6-2-7-13-17;/h1-2,4-7,10-13H,3,8-9,14-15H2,(H4,22,23,24,25);1H.
What are the key properties of 6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride?
6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 155532752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).