4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine

C15H21N5O — CID 95317595

IUPAC4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC[C@@H]2Cn2cc(C)cn2)n1
InChIInChI=1S/C15H21N5O/c1-12-9-17-19(10-12)11-13-5-3-4-8-20(13)15-16-7-6-14(18-15)21-2/h6-7,9-10,13H,3-5,8,11H2,1-2H3/t13-/m1/s1
InChIKeyQDKVZUSXZITFGP-CYBMUJFWSA-N
MW287.37 g/mol
LogP2.05
Rot. Bonds4

About 4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine

4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine (PubChem CID 95317595) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
PubChem CID95317595
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC[C@@H]2Cn2cc(C)cn2)n1
InChIInChI=1S/C15H21N5O/c1-12-9-17-19(10-12)11-13-5-3-4-8-20(13)15-16-7-6-14(18-15)21-2/h6-7,9-10,13H,3-5,8,11H2,1-2H3/t13-/m1/s1
InChIKeyQDKVZUSXZITFGP-CYBMUJFWSA-N
XLogP2.05
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95764298
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine
CID 62587593
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
CID 133376942
N,N,6-trimethyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 95599919
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 95342986
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1,3-benzoxazole
CID 95343281
2-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924819

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine (CID 95317595) is 4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine is COc1ccnc(N2CCCC[C@@H]2Cn2cc(C)cn2)n1.
What is the InChIKey of 4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
The InChIKey is QDKVZUSXZITFGP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-9-17-19(10-12)11-13-5-3-4-8-20(13)15-16-7-6-14(18-15)21-2/h6-7,9-10,13H,3-5,8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine has a molecular weight of 287.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 95317595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).