4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine

C18H25N5O2 — CID 146193899

IUPAC4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine
SMILESCOc1cc(C2CCCCCN2c2cc(C)nc(N)n2)c(OC)cn1
InChIInChI=1S/C18H25N5O2/c1-12-9-16(22-18(19)21-12)23-8-6-4-5-7-14(23)13-10-17(25-3)20-11-15(13)24-2/h9-11,14H,4-8H2,1-3H3,(H2,19,21,22)
InChIKeyZHVBDIXELSFXGX-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.90
Rot. Bonds4

About 4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine

4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 146193899) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine
PubChem CID146193899
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine
SMILESCOc1cc(C2CCCCCN2c2cc(C)nc(N)n2)c(OC)cn1
InChIInChI=1S/C18H25N5O2/c1-12-9-16(22-18(19)21-12)23-8-6-4-5-7-14(23)13-10-17(25-3)20-11-15(13)24-2/h9-11,14H,4-8H2,1-3H3,(H2,19,21,22)
InChIKeyZHVBDIXELSFXGX-UHFFFAOYSA-N
XLogP2.90
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2R)-2-(2-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193903
3-[(2R)-1-(2-amino-6-methylpyrimidin-4-yl)azepan-2-yl]-4-methoxyphenol
CID 146193661
3-[(2S)-1-(2-amino-6-methylpyrimidin-4-yl)azepan-2-yl]-4-methoxyphenol
CID 146214854
7-chloro-2,3,4,5-tetrahydroazepine-1-carbaldehyde;4-cycloheptyl-2,5-dimethoxypyridine;2-(2,5-dimethoxy-4-pyridinyl)azepane-1-carbaldehyde;4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine;7-(2,5-dimethoxy-4-pyridinyl)-2,3,4,5-tetrahydroazepine-1-carbaldehyde
CID 157360797
methyl 3-[1-(2-amino-6-methylpyrimidin-4-yl)azepan-2-yl]-4-methoxybenzoate
CID 146215409
4-[(2S)-2-(2-fluoro-5-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193634
4-[(2R)-2-(2-chloro-5-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193610
4-methyl-6-[2-(2-methylphenyl)azepan-1-yl]pyrimidin-2-amine
CID 146215377
4-[(2R)-2-(2-cyclopropyl-4-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146214825
4-[2-(2-ethyl-5-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 167006672
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
4-[(3R)-3-(2,5-dimethoxyphenyl)-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
CID 146193690

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine (CID 146193899) is 4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine is COc1cc(C2CCCCCN2c2cc(C)nc(N)n2)c(OC)cn1.
What is the InChIKey of 4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is ZHVBDIXELSFXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-9-16(22-18(19)21-12)23-8-6-4-5-7-14(23)13-10-17(25-3)20-11-15(13)24-2/h9-11,14H,4-8H2,1-3H3,(H2,19,21,22).
What are the key properties of 4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine?
4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 343.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethoxy-4-pyridinyl)azepan-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 146193899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).