N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine

C17H26N6O2 — CID 95847567

IUPACN-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
SMILESCOCCNc1cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)nc(C)n1
InChIInChI=1S/C17H26N6O2/c1-13-20-15(8-17(21-13)18-4-6-24-3)16-12-23(5-7-25-16)11-14-9-19-22(2)10-14/h8-10,16H,4-7,11-12H2,1-3H3,(H,18,20,21)/t16-/m0/s1
InChIKeyWKGGTTJZBLNVLI-INIZCTEOSA-N
MW346.44 g/mol
LogP1.15
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine

N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine (PubChem CID 95847567) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
PubChem CID95847567
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
SMILESCOCCNc1cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)nc(C)n1
InChIInChI=1S/C17H26N6O2/c1-13-20-15(8-17(21-13)18-4-6-24-3)16-12-23(5-7-25-16)11-14-9-19-22(2)10-14/h8-10,16H,4-7,11-12H2,1-3H3,(H,18,20,21)/t16-/m0/s1
InChIKeyWKGGTTJZBLNVLI-INIZCTEOSA-N
XLogP1.15
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-methyl-6-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 110271353
(2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 95847566
4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 110271855
2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide
CID 110271844
(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124949780
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
[(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 95847560
(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124941763
(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124968837
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115909
6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 110271900

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine (CID 95847567) is N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine is COCCNc1cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)nc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine?
The InChIKey is WKGGTTJZBLNVLI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-13-20-15(8-17(21-13)18-4-6-24-3)16-12-23(5-7-25-16)11-14-9-19-22(2)10-14/h8-10,16H,4-7,11-12H2,1-3H3,(H,18,20,21)/t16-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine?
N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine has a molecular weight of 346.44 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 95847567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).