5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine

C14H17N5O — CID 154461657

IUPAC5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
SMILESCc1cncnc1OC1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H17N5O/c1-11-9-15-10-18-13(11)20-12-3-7-19(8-4-12)14-16-5-2-6-17-14/h2,5-6,9-10,12H,3-4,7-8H2,1H3
InChIKeyBEUKAJUOSBAGGP-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.62
Rot. Bonds3

About 5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine

5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine (PubChem CID 154461657) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
PubChem CID154461657
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
SMILESCc1cncnc1OC1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H17N5O/c1-11-9-15-10-18-13(11)20-12-3-7-19(8-4-12)14-16-5-2-6-17-14/h2,5-6,9-10,12H,3-4,7-8H2,1H3
InChIKeyBEUKAJUOSBAGGP-UHFFFAOYSA-N
XLogP1.62
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 86665163
N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine
CID 87578263
1-(4-methoxyphenyl)-N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxyethanimine
CID 87578363
4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 67511535
2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine
CID 24732938
(4-cyclopropyloxypyrimidin-5-yl)boronic acid
CID 171760230
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
4-(1,3,2-dioxathian-5-yl)-2-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]phenol
CID 136601990
2-methyl-5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazine
CID 123758655
2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine
CID 125139356
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine
CID 172635069

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine (CID 154461657) is 5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine is Cc1cncnc1OC1CCN(c2ncccn2)CC1.
What is the InChIKey of 5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
The InChIKey is BEUKAJUOSBAGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-11-9-15-10-18-13(11)20-12-3-7-19(8-4-12)14-16-5-2-6-17-14/h2,5-6,9-10,12H,3-4,7-8H2,1H3.
What are the key properties of 5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine has a molecular weight of 271.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 154461657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).