N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

C16H23N5O2S — CID 97487347

IUPACN-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCOCCNc1ccnc([C@H]2COCCN2Cc2scnc2C)n1
InChIInChI=1S/C16H23N5O2S/c1-12-14(24-11-19-12)9-21-6-8-23-10-13(21)16-18-4-3-15(20-16)17-5-7-22-2/h3-4,11,13H,5-10H2,1-2H3,(H,17,18,20)/t13-/m1/s1
InChIKeyZEVBWQYCVFGKRE-CYBMUJFWSA-N
MW349.46 g/mol
LogP1.87
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (PubChem CID 97487347) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
PubChem CID97487347
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCOCCNc1ccnc([C@H]2COCCN2Cc2scnc2C)n1
InChIInChI=1S/C16H23N5O2S/c1-12-14(24-11-19-12)9-21-6-8-23-10-13(21)16-18-4-3-15(20-16)17-5-7-22-2/h3-4,11,13H,5-10H2,1-2H3,(H,17,18,20)/t13-/m1/s1
InChIKeyZEVBWQYCVFGKRE-CYBMUJFWSA-N
XLogP1.87
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.87
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-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840150
[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 97486030
[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 131643119
N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97484458
2-(4-cyclopropylsulfonylmorpholin-3-yl)-N-(2-methoxyethyl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 155836444
N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486517
N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487233
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648844
N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine
CID 62784368
2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 97485536

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (CID 97487347) is N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is COCCNc1ccnc([C@H]2COCCN2Cc2scnc2C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is ZEVBWQYCVFGKRE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12-14(24-11-19-12)9-21-6-8-23-10-13(21)16-18-4-3-15(20-16)17-5-7-22-2/h3-4,11,13H,5-10H2,1-2H3,(H,17,18,20)/t13-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
N-(2-methoxyethyl)-2-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 1.87, 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-[(3S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97487347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).