2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine

C17H29N3O2 — CID 97055608

IUPAC2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine
SMILESCOCc1nc(C)cc(N2CCCC[C@@H]2CCOC(C)C)n1
InChIInChI=1S/C17H29N3O2/c1-13(2)22-10-8-15-7-5-6-9-20(15)17-11-14(3)18-16(19-17)12-21-4/h11,13,15H,5-10,12H2,1-4H3/t15-/m1/s1
InChIKeyHLVIGFXYUAJHKF-OAHLLOKOSA-N
MW307.44 g/mol
LogP3.11
Rot. Bonds7

About 2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine

2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine (PubChem CID 97055608) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine
PubChem CID97055608
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine
SMILESCOCc1nc(C)cc(N2CCCC[C@@H]2CCOC(C)C)n1
InChIInChI=1S/C17H29N3O2/c1-13(2)22-10-8-15-7-5-6-9-20(15)17-11-14(3)18-16(19-17)12-21-4/h11,13,15H,5-10,12H2,1-4H3/t15-/m1/s1
InChIKeyHLVIGFXYUAJHKF-OAHLLOKOSA-N
XLogP3.11
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 113400951
2-(methoxymethyl)-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 119032937
2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine
CID 126822851
2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 97223890
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63767587
4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55184425
2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 119038345
4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730
[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640655
N-cyclopropyl-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 133381181
N-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55218834
2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417448

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine (CID 97055608) is 2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine is COCc1nc(C)cc(N2CCCC[C@@H]2CCOC(C)C)n1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine?
The InChIKey is HLVIGFXYUAJHKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)22-10-8-15-7-5-6-9-20(15)17-11-14(3)18-16(19-17)12-21-4/h11,13,15H,5-10,12H2,1-4H3/t15-/m1/s1.
What are the key properties of 2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine?
2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine has a molecular weight of 307.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97055608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).