2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine

C20H29N7O — CID 24737031

IUPAC2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
SMILESCOc1ccnc(N2CCN(C3CCN(c4nc(C)cc(C)n4)CC3)CC2)n1
InChIInChI=1S/C20H29N7O/c1-15-14-16(2)23-20(22-15)26-8-5-17(6-9-26)25-10-12-27(13-11-25)19-21-7-4-18(24-19)28-3/h4,7,14,17H,5-6,8-13H2,1-3H3
InChIKeyHNOHWKDOFXNSJN-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.68
Rot. Bonds4

About 2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine

2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine (PubChem CID 24737031) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
PubChem CID24737031
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
SMILESCOc1ccnc(N2CCN(C3CCN(c4nc(C)cc(C)n4)CC3)CC2)n1
InChIInChI=1S/C20H29N7O/c1-15-14-16(2)23-20(22-15)26-8-5-17(6-9-26)25-10-12-27(13-11-25)19-21-7-4-18(24-19)28-3/h4,7,14,17H,5-6,8-13H2,1-3H3
InChIKeyHNOHWKDOFXNSJN-UHFFFAOYSA-N
XLogP1.68
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine (CID 24737031) is 2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine is COc1ccnc(N2CCN(C3CCN(c4nc(C)cc(C)n4)CC3)CC2)n1.
What is the InChIKey of 2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is HNOHWKDOFXNSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-15-14-16(2)23-20(22-15)26-8-5-17(6-9-26)25-10-12-27(13-11-25)19-21-7-4-18(24-19)28-3/h4,7,14,17H,5-6,8-13H2,1-3H3.
What are the key properties of 2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine?
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 383.50 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 24737031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).