N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

C16H23N5O2 — CID 110113855

IUPACN,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(C2COCCN2Cc2cc(C)on2)n1
InChIInChI=1S/C16H23N5O2/c1-11-7-15(20(3)4)18-16(17-11)14-10-22-6-5-21(14)9-13-8-12(2)23-19-13/h7-8,14H,5-6,9-10H2,1-4H3
InChIKeyXBTFBHSIJGMCLP-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.72
Rot. Bonds4

About N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (PubChem CID 110113855) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
PubChem CID110113855
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(C2COCCN2Cc2cc(C)on2)n1
InChIInChI=1S/C16H23N5O2/c1-11-7-15(20(3)4)18-16(17-11)14-10-22-6-5-21(14)9-13-8-12(2)23-19-13/h7-8,14H,5-6,9-10H2,1-4H3
InChIKeyXBTFBHSIJGMCLP-UHFFFAOYSA-N
XLogP1.72
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (CID 110113855) is N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is Cc1cc(N(C)C)nc(C2COCCN2Cc2cc(C)on2)n1.
What is the InChIKey of N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is XBTFBHSIJGMCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-7-15(20(3)4)18-16(17-11)14-10-22-6-5-21(14)9-13-8-12(2)23-19-13/h7-8,14H,5-6,9-10H2,1-4H3.
What are the key properties of N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 317.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 110113855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).