4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C17H21N5O2 — CID 134072944

IUPAC4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CN(c4cccnc4)CCO3)C2)nc1
InChIInChI=1S/C17H21N5O2/c1-3-15(11-18-4-1)21-8-10-24-17(12-21)13-22(7-9-23-14-17)16-19-5-2-6-20-16/h1-6,11H,7-10,12-14H2
InChIKeyMAKYTYMHMDROQC-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.98
Rot. Bonds2

About 4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 134072944) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID134072944
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1cnc(N2CCOCC3(CN(c4cccnc4)CCO3)C2)nc1
InChIInChI=1S/C17H21N5O2/c1-3-15(11-18-4-1)21-8-10-24-17(12-21)13-22(7-9-23-14-17)16-19-5-2-6-20-16/h1-6,11H,7-10,12-14H2
InChIKeyMAKYTYMHMDROQC-UHFFFAOYSA-N
XLogP0.98
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373124
(6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373115
pyridin-4-yl-(8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 134070473
4-(2-methylpropyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134079088
(6R)-4-methylsulfonyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495133
(6R)-4-ethylsulfonyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373125
(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398278
(6S)-8-cyclopropylsulfonyl-4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398458
8-cyclopropylsulfonyl-4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118739220
8-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131640266
(5-methyl-1,2-oxazol-4-yl)-(8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155835494
4-(oxan-4-yl)-8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134074048

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 134072944) is 4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is c1cnc(N2CCOCC3(CN(c4cccnc4)CCO3)C2)nc1.
What is the InChIKey of 4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is MAKYTYMHMDROQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-15(11-18-4-1)21-8-10-24-17(12-21)13-22(7-9-23-14-17)16-19-5-2-6-20-16/h1-6,11H,7-10,12-14H2.
What are the key properties of 4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 327.39 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 134072944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).