2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine

C19H25N3O2 — CID 97453121

IUPAC2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine
SMILESCOc1ncc(-c2ccc([C@H](C)N3CCCCC3)cc2)c(OC)n1
InChIInChI=1S/C19H25N3O2/c1-14(22-11-5-4-6-12-22)15-7-9-16(10-8-15)17-13-20-19(24-3)21-18(17)23-2/h7-10,13-14H,4-6,11-12H2,1-3H3/t14-/m0/s1
InChIKeyFOGHGDKDJQFJJI-AWEZNQCLSA-N
MW327.43 g/mol
LogP3.71
Rot. Bonds5

About 2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine

2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine (PubChem CID 97453121) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine
PubChem CID97453121
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine
SMILESCOc1ncc(-c2ccc([C@H](C)N3CCCCC3)cc2)c(OC)n1
InChIInChI=1S/C19H25N3O2/c1-14(22-11-5-4-6-12-22)15-7-9-16(10-8-15)17-13-20-19(24-3)21-18(17)23-2/h7-10,13-14H,4-6,11-12H2,1-3H3/t14-/m0/s1
InChIKeyFOGHGDKDJQFJJI-AWEZNQCLSA-N
XLogP3.71
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine (CID 97453121) is 2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine is COc1ncc(-c2ccc([C@H](C)N3CCCCC3)cc2)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine?
The InChIKey is FOGHGDKDJQFJJI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(22-11-5-4-6-12-22)15-7-9-16(10-8-15)17-13-20-19(24-3)21-18(17)23-2/h7-10,13-14H,4-6,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine?
2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine has a molecular weight of 327.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrimidine is sourced from PubChem (CID 97453121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).