N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine

C16H23N5O2 — CID 56706097

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine
SMILESCc1noc(C)c1CN(C)Cc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H23N5O2/c1-12-15(13(2)23-19-12)11-20(3)10-14-8-17-16(18-9-14)21-4-6-22-7-5-21/h8-9H,4-7,10-11H2,1-3H3
InChIKeyVEIDDNOPKUEVCV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.55
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine (PubChem CID 56706097) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine
PubChem CID56706097
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine
SMILESCc1noc(C)c1CN(C)Cc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H23N5O2/c1-12-15(13(2)23-19-12)11-20(3)10-14-8-17-16(18-9-14)21-4-6-22-7-5-21/h8-9H,4-7,10-11H2,1-3H3
InChIKeyVEIDDNOPKUEVCV-UHFFFAOYSA-N
XLogP1.55
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine (CID 56706097) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine is Cc1noc(C)c1CN(C)Cc1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine?
The InChIKey is VEIDDNOPKUEVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-15(13(2)23-19-12)11-20(3)10-14-8-17-16(18-9-14)21-4-6-22-7-5-21/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine has a molecular weight of 317.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 56706097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).