2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine

C15H22N4O2 — CID 99839483

IUPAC2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCN(C[C@H]3CCC=CO3)CC2)n1
InChIInChI=1S/C15H22N4O2/c1-20-14-5-6-16-15(17-14)19-9-7-18(8-10-19)12-13-4-2-3-11-21-13/h3,5-6,11,13H,2,4,7-10,12H2,1H3/t13-/m1/s1
InChIKeyNXSKOEUJYWJFRH-CYBMUJFWSA-N
MW290.37 g/mol
LogP1.30
Rot. Bonds4

About 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine

2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine (PubChem CID 99839483) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine
PubChem CID99839483
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCN(C[C@H]3CCC=CO3)CC2)n1
InChIInChI=1S/C15H22N4O2/c1-20-14-5-6-16-15(17-14)19-9-7-18(8-10-19)12-13-4-2-3-11-21-13/h3,5-6,11,13H,2,4,7-10,12H2,1H3/t13-/m1/s1
InChIKeyNXSKOEUJYWJFRH-CYBMUJFWSA-N
XLogP1.30
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine 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 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine (CID 99839483) is 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCN(C[C@H]3CCC=CO3)CC2)n1.
What is the InChIKey of 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine?
The InChIKey is NXSKOEUJYWJFRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-20-14-5-6-16-15(17-14)19-9-7-18(8-10-19)12-13-4-2-3-11-21-13/h3,5-6,11,13H,2,4,7-10,12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine?
2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine has a molecular weight of 290.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 99839483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).