N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

C19H28N6OS — CID 172881742

IUPACN-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1ncsc1CN1CCCC(N(C)c2nccc(N3CCOCC3)n2)C1
InChIInChI=1S/C19H28N6OS/c1-15-17(27-14-21-15)13-24-7-3-4-16(12-24)23(2)19-20-6-5-18(22-19)25-8-10-26-11-9-25/h5-6,14,16H,3-4,7-13H2,1-2H3
InChIKeyKZQJSTREKBETFU-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.18
Rot. Bonds5

About N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 172881742) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID172881742
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC NameN-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1ncsc1CN1CCCC(N(C)c2nccc(N3CCOCC3)n2)C1
InChIInChI=1S/C19H28N6OS/c1-15-17(27-14-21-15)13-24-7-3-4-16(12-24)23(2)19-20-6-5-18(22-19)25-8-10-26-11-9-25/h5-6,14,16H,3-4,7-13H2,1-2H3
InChIKeyKZQJSTREKBETFU-UHFFFAOYSA-N
XLogP2.18
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998821
N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995870
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998822
N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 172881656
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171996260
N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171993904
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 171995820
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171997979
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171994800
4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 131669080
N-methyl-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903124
4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881622

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (CID 172881742) is N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is Cc1ncsc1CN1CCCC(N(C)c2nccc(N3CCOCC3)n2)C1.
What is the InChIKey of N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is KZQJSTREKBETFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-15-17(27-14-21-15)13-24-7-3-4-16(12-24)23(2)19-20-6-5-18(22-19)25-8-10-26-11-9-25/h5-6,14,16H,3-4,7-13H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 388.54 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172881742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).