N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine

C17H25N5OS — CID 129320725

IUPACN-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESC[C@H](Nc1cc(N2CCOCC2)ncn1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H25N5OS/c1-12(16-21-13(10-24-16)17(2,3)4)20-14-9-15(19-11-18-14)22-5-7-23-8-6-22/h9-12H,5-8H2,1-4H3,(H,18,19,20)/t12-/m0/s1
InChIKeyZOYYTPNRQHQJBL-LBPRGKRZSA-N
MW347.49 g/mol
LogP3.24
Rot. Bonds4

About N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine

N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 129320725) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID129320725
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESC[C@H](Nc1cc(N2CCOCC2)ncn1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H25N5OS/c1-12(16-21-13(10-24-16)17(2,3)4)20-14-9-15(19-11-18-14)22-5-7-23-8-6-22/h9-12H,5-8H2,1-4H3,(H,18,19,20)/t12-/m0/s1
InChIKeyZOYYTPNRQHQJBL-LBPRGKRZSA-N
XLogP3.24
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

6-morpholin-4-yl-N-[(1R)-1-pyridin-4-ylethyl]pyrimidin-4-amine
CID 124626033
N-(1-morpholin-4-ylpropan-2-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133291179
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
CID 133292488
N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282484
6-morpholin-4-yl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-4-amine
CID 50981939
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
2-methyl-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112868035
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300
N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857173
N-(4-methyl-2-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282546

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 129320725) is N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine is C[C@H](Nc1cc(N2CCOCC2)ncn1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is ZOYYTPNRQHQJBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12(16-21-13(10-24-16)17(2,3)4)20-14-9-15(19-11-18-14)22-5-7-23-8-6-22/h9-12H,5-8H2,1-4H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 347.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 129320725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).