2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine

C17H21N5O2 — CID 171701723

IUPAC2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCCN(c3cc(C4CC4)ncn3)C2)nc1
InChIInChI=1S/C17H21N5O2/c1-23-14-8-18-17(19-9-14)24-13-3-2-6-22(10-13)16-7-15(12-4-5-12)20-11-21-16/h7-9,11-13H,2-6,10H2,1H3
InChIKeyMETHVENPVKLSDJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.20
Rot. Bonds5

About 2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine

2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine (PubChem CID 171701723) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
PubChem CID171701723
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCCN(c3cc(C4CC4)ncn3)C2)nc1
InChIInChI=1S/C17H21N5O2/c1-23-14-8-18-17(19-9-14)24-13-3-2-6-22(10-13)16-7-15(12-4-5-12)20-11-21-16/h7-9,11-13H,2-6,10H2,1H3
InChIKeyMETHVENPVKLSDJ-UHFFFAOYSA-N
XLogP2.20
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701732
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701942
4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine
CID 171701040
2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701024
6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702618
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704
6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine
CID 163348498
4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
CID 72839959
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172899637
5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine?
The IUPAC name of 2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine (CID 171701723) is 2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine.
What is the SMILES notation for 2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine?
The canonical SMILES for 2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine is COc1cnc(OC2CCCN(c3cc(C4CC4)ncn3)C2)nc1.
What is the InChIKey of 2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine?
The InChIKey is METHVENPVKLSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-23-14-8-18-17(19-9-14)24-13-3-2-6-22(10-13)16-7-15(12-4-5-12)20-11-21-16/h7-9,11-13H,2-6,10H2,1H3.
What are the key properties of 2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine?
2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine has a molecular weight of 327.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine is sourced from PubChem (CID 171701723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).