5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine

C19H21N5O2 — CID 58073700

IUPAC5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCc1ncnc(N2CCC3(CC2)OCCO3)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C19H21N5O2/c1-14-16(4-2-15-3-5-17(20)21-12-15)18(23-13-22-14)24-8-6-19(7-9-24)25-10-11-26-19/h3,5,12-13H,6-11H2,1H3,(H2,20,21)
InChIKeyBSSHDKHPBMJLRV-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.51
Rot. Bonds1

About 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine

5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 58073700) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID58073700
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCc1ncnc(N2CCC3(CC2)OCCO3)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C19H21N5O2/c1-14-16(4-2-15-3-5-17(20)21-12-15)18(23-13-22-14)24-8-6-19(7-9-24)25-10-11-26-19/h3,5,12-13H,6-11H2,1H3,(H2,20,21)
InChIKeyBSSHDKHPBMJLRV-UHFFFAOYSA-N
XLogP1.51
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine
CID 10883874
5-Benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 10959648
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 23646789
5-(2,6-Dimorpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 59507937
1-[5-[2-(6-Aminopyridin-3-yl)ethynyl]-6-ethylpyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 53308744
1-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-4-propan-2-ylpiperidin-4-ol
CID 53341522
8-(2,6-Dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 5066784
5-[(Benzyl-methyl-amino)-methyl]-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine
CID 10341735
6-(6-Morpholin-4-yl-pyridin-3-ylethynyl)-5-(3-pyridin-3-yl-propyl)-pyrimidin-4-ylamine
CID 10862276
6-(6-Morpholin-4-yl-pyridin-3-ylethynyl)-5-(3-pyridin-4-yl-propyl)-pyrimidin-4-ylamine
CID 10905455
6-(6-Morpholin-4-yl-pyridin-3-ylethynyl)-5-phenethyl-pyrimidin-4-ylamine
CID 11728745
5-N-benzyl-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine
CID 11729078

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 58073700) is 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine is Cc1ncnc(N2CCC3(CC2)OCCO3)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is BSSHDKHPBMJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-16(4-2-15-3-5-17(20)21-12-15)18(23-13-22-14)24-8-6-19(7-9-24)25-10-11-26-19/h3,5,12-13H,6-11H2,1H3,(H2,20,21).
What are the key properties of 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 351.41 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58073700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).