1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol

C15H22N8O2 — CID 162633573

IUPAC1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol
SMILESCn1nnnc1C1CN(c2cc(N3CCC(O)CC3)ncn2)CCO1
InChIInChI=1S/C15H22N8O2/c1-21-15(18-19-20-21)12-9-23(6-7-25-12)14-8-13(16-10-17-14)22-4-2-11(24)3-5-22/h8,10-12,24H,2-7,9H2,1H3
InChIKeyAQHRLDJWNBRSRQ-UHFFFAOYSA-N
MW346.40 g/mol
LogP-0.46
Rot. Bonds3

About 1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol

1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 162633573) has the molecular formula C15H22N8O2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID162633573
Molecular FormulaC15H22N8O2
Molecular Weight346.40 g/mol
Exact Mass346.19
IUPAC Name1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol
SMILESCn1nnnc1C1CN(c2cc(N3CCC(O)CC3)ncn2)CCO1
InChIInChI=1S/C15H22N8O2/c1-21-15(18-19-20-21)12-9-23(6-7-25-12)14-8-13(16-10-17-14)22-4-2-11(24)3-5-22/h8,10-12,24H,2-7,9H2,1H3
InChIKeyAQHRLDJWNBRSRQ-UHFFFAOYSA-N
XLogP-0.46
TPSA105.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(6,7-dimethoxy-4-methylquinolin-2-yl)-2-(1-methyltetrazol-5-yl)morpholine
CID 166614364
2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 126800921
2-(2-methyltetrazol-5-yl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 164694842
(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 95551993
2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133298883
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one
CID 157014401
4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464424
4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449865
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
(2R)-2-(4-chlorophenyl)-4-(6-cyclopropylpyrimidin-4-yl)morpholine
CID 95551625
1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 126848783

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol (CID 162633573) is 1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol is Cn1nnnc1C1CN(c2cc(N3CCC(O)CC3)ncn2)CCO1.
What is the InChIKey of 1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is AQHRLDJWNBRSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O2/c1-21-15(18-19-20-21)12-9-23(6-7-25-12)14-8-13(16-10-17-14)22-4-2-11(24)3-5-22/h8,10-12,24H,2-7,9H2,1H3.
What are the key properties of 1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 346.40 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 162633573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).