2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine

C15H19N5O — CID 95846033

IUPAC2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCCC[C@H]2c2ccncn2)cn1
InChIInChI=1S/C15H19N5O/c1-21-15-17-8-12(9-18-15)10-20-7-3-2-4-14(20)13-5-6-16-11-19-13/h5-6,8-9,11,14H,2-4,7,10H2,1H3/t14-/m0/s1
InChIKeyBBACPEZVMPZMNQ-AWEZNQCLSA-N
MW285.35 g/mol
LogP2.00
Rot. Bonds4

About 2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine

2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine (PubChem CID 95846033) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
PubChem CID95846033
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCCC[C@H]2c2ccncn2)cn1
InChIInChI=1S/C15H19N5O/c1-21-15-17-8-12(9-18-15)10-20-7-3-2-4-14(20)13-5-6-16-11-19-13/h5-6,8-9,11,14H,2-4,7,10H2,1H3/t14-/m0/s1
InChIKeyBBACPEZVMPZMNQ-AWEZNQCLSA-N
XLogP2.00
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 125016297
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine
CID 124971540
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
CID 127244845
4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244796
N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124967538

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine (CID 95846033) is 2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine is COc1ncc(CN2CCCC[C@H]2c2ccncn2)cn1.
What is the InChIKey of 2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine?
The InChIKey is BBACPEZVMPZMNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-15-17-8-12(9-18-15)10-20-7-3-2-4-14(20)13-5-6-16-11-19-13/h5-6,8-9,11,14H,2-4,7,10H2,1H3/t14-/m0/s1.
What are the key properties of 2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine?
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine has a molecular weight of 285.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 95846033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).