N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C13H19N5O — CID 106641932

IUPACN,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(N(C)CC3CCCCN3)c12
InChIInChI=1S/C13H19N5O/c1-9-11-12(15-8-16-13(11)19-17-9)18(2)7-10-5-3-4-6-14-10/h8,10,14H,3-7H2,1-2H3
InChIKeyZPGQBLCTGFXLQK-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.50
Rot. Bonds3

About N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 106641932) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID106641932
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(N(C)CC3CCCCN3)c12
InChIInChI=1S/C13H19N5O/c1-9-11-12(15-8-16-13(11)19-17-9)18(2)7-10-5-3-4-6-14-10/h8,10,14H,3-7H2,1-2H3
InChIKeyZPGQBLCTGFXLQK-UHFFFAOYSA-N
XLogP1.50
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 79705334
3-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 106642983
N-methyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106642245
N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 83831221
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99844641
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106642122
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
N-methyl-N-(piperidin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 106635602
4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 97164172
3-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618690

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 106641932) is N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(N(C)CC3CCCCN3)c12.
What is the InChIKey of N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZPGQBLCTGFXLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-11-12(15-8-16-13(11)19-17-9)18(2)7-10-5-3-4-6-14-10/h8,10,14H,3-7H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 106641932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).