4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine

C19H33N5O — CID 164630368

IUPAC4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine
SMILESCOCCN1CCN(c2nccc(N3CCCC(C)(C)C3)n2)C[C@@H]1C
InChIInChI=1S/C19H33N5O/c1-16-14-23(11-10-22(16)12-13-25-4)18-20-8-6-17(21-18)24-9-5-7-19(2,3)15-24/h6,8,16H,5,7,9-15H2,1-4H3/t16-/m0/s1
InChIKeyRXXVPXBWRARGKW-INIZCTEOSA-N
MW347.51 g/mol
LogP2.26
Rot. Bonds5

About 4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine

4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine (PubChem CID 164630368) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine
PubChem CID164630368
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine
SMILESCOCCN1CCN(c2nccc(N3CCCC(C)(C)C3)n2)C[C@@H]1C
InChIInChI=1S/C19H33N5O/c1-16-14-23(11-10-22(16)12-13-25-4)18-20-8-6-17(21-18)24-9-5-7-19(2,3)15-24/h6,8,16H,5,7,9-15H2,1-4H3/t16-/m0/s1
InChIKeyRXXVPXBWRARGKW-INIZCTEOSA-N
XLogP2.26
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine (CID 164630368) is 4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine is COCCN1CCN(c2nccc(N3CCCC(C)(C)C3)n2)C[C@@H]1C.
What is the InChIKey of 4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine?
The InChIKey is RXXVPXBWRARGKW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H33N5O/c1-16-14-23(11-10-22(16)12-13-25-4)18-20-8-6-17(21-18)24-9-5-7-19(2,3)15-24/h6,8,16H,5,7,9-15H2,1-4H3/t16-/m0/s1.
What are the key properties of 4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine?
4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine has a molecular weight of 347.51 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidin-1-yl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 164630368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).