5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine

C18H27ClN4O2Si — CID 170516558

IUPAC5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine
SMILESCc1ncc(N)cc1-c1cc(OCCCC(C)(C)[Si](C)(C)O)nc(Cl)n1
InChIInChI=1S/C18H27ClN4O2Si/c1-12-14(9-13(20)11-21-12)15-10-16(23-17(19)22-15)25-8-6-7-18(2,3)26(4,5)24/h9-11,24H,6-8,20H2,1-5H3
InChIKeyOGTWOENKTXRWJT-UHFFFAOYSA-N
MW394.98 g/mol
LogP4.22
Rot. Bonds7

About 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine

5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine (PubChem CID 170516558) has the molecular formula C18H27ClN4O2Si and a molecular weight of 394.98 g/mol. Its IUPAC name is 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine.

Molecular Properties

Compound Name5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine
PubChem CID170516558
Molecular FormulaC18H27ClN4O2Si
Molecular Weight394.98 g/mol
Exact Mass394.16
IUPAC Name5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine
SMILESCc1ncc(N)cc1-c1cc(OCCCC(C)(C)[Si](C)(C)O)nc(Cl)n1
InChIInChI=1S/C18H27ClN4O2Si/c1-12-14(9-13(20)11-21-12)15-10-16(23-17(19)22-15)25-8-6-7-18(2,3)26(4,5)24/h9-11,24H,6-8,20H2,1-5H3
InChIKeyOGTWOENKTXRWJT-UHFFFAOYSA-N
XLogP4.22
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.98
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine?
The IUPAC name of 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine (CID 170516558) is 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine.
What is the SMILES notation for 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine?
The canonical SMILES for 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine is Cc1ncc(N)cc1-c1cc(OCCCC(C)(C)[Si](C)(C)O)nc(Cl)n1.
What is the InChIKey of 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine?
The InChIKey is OGTWOENKTXRWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2Si/c1-12-14(9-13(20)11-21-12)15-10-16(23-17(19)22-15)25-8-6-7-18(2,3)26(4,5)24/h9-11,24H,6-8,20H2,1-5H3.
What are the key properties of 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine?
5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine has a molecular weight of 394.98 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine is sourced from PubChem (CID 170516558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).