(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine

C14H19N5O — CID 124944985

IUPAC(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
SMILESCc1cc(C)nc([C@@H]2CN(Cc3cnc[nH]3)CCO2)n1
InChIInChI=1S/C14H19N5O/c1-10-5-11(2)18-14(17-10)13-8-19(3-4-20-13)7-12-6-15-9-16-12/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyBNQMICZYJXYYQP-ZDUSSCGKSA-N
MW273.34 g/mol
LogP1.39
Rot. Bonds3

About (2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine

(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine (PubChem CID 124944985) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
PubChem CID124944985
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
SMILESCc1cc(C)nc([C@@H]2CN(Cc3cnc[nH]3)CCO2)n1
InChIInChI=1S/C14H19N5O/c1-10-5-11(2)18-14(17-10)13-8-19(3-4-20-13)7-12-6-15-9-16-12/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyBNQMICZYJXYYQP-ZDUSSCGKSA-N
XLogP1.39
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110115567
(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125017640
4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 110103183
4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine
CID 110271963
N-[[2-[(2R)-4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125026880
(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 125007734
2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-amine
CID 79669506
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 124947302
(6S)-4-(1H-imidazol-5-ylmethyl)-6-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
CID 95847960
[2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 79669347
2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine
CID 79669673
N,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657800

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine?
The IUPAC name of (2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine (CID 124944985) is (2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine is Cc1cc(C)nc([C@@H]2CN(Cc3cnc[nH]3)CCO2)n1.
What is the InChIKey of (2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine?
The InChIKey is BNQMICZYJXYYQP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-5-11(2)18-14(17-10)13-8-19(3-4-20-13)7-12-6-15-9-16-12/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine?
(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine has a molecular weight of 273.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine is sourced from PubChem (CID 124944985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).