N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine

C16H19N5O2 — CID 77085993

IUPACN,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine
SMILESCC(C)c1nccc(CN(Cc2cocn2)Cc2cocn2)n1
InChIInChI=1S/C16H19N5O2/c1-12(2)16-17-4-3-13(20-16)5-21(6-14-8-22-10-18-14)7-15-9-23-11-19-15/h3-4,8-12H,5-7H2,1-2H3
InChIKeyJTUBNVAVZJKHAS-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.78
Rot. Bonds7

About N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine

N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine (PubChem CID 77085993) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine
PubChem CID77085993
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine
SMILESCC(C)c1nccc(CN(Cc2cocn2)Cc2cocn2)n1
InChIInChI=1S/C16H19N5O2/c1-12(2)16-17-4-3-13(20-16)5-21(6-14-8-22-10-18-14)7-15-9-23-11-19-15/h3-4,8-12H,5-7H2,1-2H3
InChIKeyJTUBNVAVZJKHAS-UHFFFAOYSA-N
XLogP2.78
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine?
The IUPAC name of N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine (CID 77085993) is N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine?
The canonical SMILES for N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine is CC(C)c1nccc(CN(Cc2cocn2)Cc2cocn2)n1.
What is the InChIKey of N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine?
The InChIKey is JTUBNVAVZJKHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-12(2)16-17-4-3-13(20-16)5-21(6-14-8-22-10-18-14)7-15-9-23-11-19-15/h3-4,8-12H,5-7H2,1-2H3.
What are the key properties of N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine?
N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine has a molecular weight of 313.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,3-oxazol-4-ylmethyl)-1-(2-propan-2-ylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 77085993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).