3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C19H24N6O — CID 72925899

IUPAC3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(NCC(c2cccnc2)N2CCCCC2)c2c(C)noc2n1
InChIInChI=1S/C19H24N6O/c1-13-17-18(22-14(2)23-19(17)26-24-13)21-12-16(15-7-6-8-20-11-15)25-9-4-3-5-10-25/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,21,22,23)
InChIKeyDYRQAPZZNAIXPH-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.27
Rot. Bonds5

About 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72925899) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72925899
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(NCC(c2cccnc2)N2CCCCC2)c2c(C)noc2n1
InChIInChI=1S/C19H24N6O/c1-13-17-18(22-14(2)23-19(17)26-24-13)21-12-16(15-7-6-8-20-11-15)25-9-4-3-5-10-25/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,21,22,23)
InChIKeyDYRQAPZZNAIXPH-UHFFFAOYSA-N
XLogP3.27
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

5,7-dimethyl-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190501
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72931664
2-methyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-6-propan-2-ylpyrimidin-4-amine
CID 95129137
5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine
CID 29153886
2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
CID 142393925
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027
N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97208706
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine
CID 131944543
3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
CID 112506429
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411
4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72929752

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72925899) is 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1nc(NCC(c2cccnc2)N2CCCCC2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DYRQAPZZNAIXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-17-18(22-14(2)23-19(17)26-24-13)21-12-16(15-7-6-8-20-11-15)25-9-4-3-5-10-25/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,21,22,23).
What are the key properties of 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72925899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).