4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine

C15H24N4O — CID 95846408

IUPAC4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine
SMILESc1nc(C[C@@H]2CCCNCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H24N4O/c1-2-13(3-5-16-4-1)10-14-11-15(18-12-17-14)19-6-8-20-9-7-19/h11-13,16H,1-10H2/t13-/m1/s1
InChIKeyWDEWVKWFMLEANU-CYBMUJFWSA-N
MW276.38 g/mol
LogP1.25
Rot. Bonds3

About 4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine

4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine (PubChem CID 95846408) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine
PubChem CID95846408
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine
SMILESc1nc(C[C@@H]2CCCNCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H24N4O/c1-2-13(3-5-16-4-1)10-14-11-15(18-12-17-14)19-6-8-20-9-7-19/h11-13,16H,1-10H2/t13-/m1/s1
InChIKeyWDEWVKWFMLEANU-CYBMUJFWSA-N
XLogP1.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(azepan-4-ylmethyl)pyrazin-2-yl]morpholine
CID 110271335
5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 110099244
6-[[(4R)-azepan-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124641367
5-[4-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one
CID 167820290
6-morpholin-4-yl-N-(piperidin-4-ylmethyl)pyridin-3-amine
CID 79708177
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 126848226
(2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide
CID 95871432
1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole
CID 110097000
4-[(1R)-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
CID 97199716
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
CID 126848203
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
1-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]azepane
CID 110271314

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine (CID 95846408) is 4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine is c1nc(C[C@@H]2CCCNCC2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine?
The InChIKey is WDEWVKWFMLEANU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-13(3-5-16-4-1)10-14-11-15(18-12-17-14)19-6-8-20-9-7-19/h11-13,16H,1-10H2/t13-/m1/s1.
What are the key properties of 4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine?
4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine has a molecular weight of 276.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 95846408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).