N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine

C19H23N5S — CID 92562333

IUPACN,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine
SMILESCc1cccnc1[C@H](Cc1ccsc1)NCc1cnc(N(C)C)nc1
InChIInChI=1S/C19H23N5S/c1-14-5-4-7-20-18(14)17(9-15-6-8-25-13-15)21-10-16-11-22-19(23-12-16)24(2)3/h4-8,11-13,17,21H,9-10H2,1-3H3/t17-/m0/s1
InChIKeyHRBUQBKWEZHMNM-KRWDZBQOSA-N
MW353.50 g/mol
LogP3.38
Rot. Bonds7

About N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine

N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine (PubChem CID 92562333) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine
PubChem CID92562333
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC NameN,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine
SMILESCc1cccnc1[C@H](Cc1ccsc1)NCc1cnc(N(C)C)nc1
InChIInChI=1S/C19H23N5S/c1-14-5-4-7-20-18(14)17(9-15-6-8-25-13-15)21-10-16-11-22-19(23-12-16)24(2)3/h4-8,11-13,17,21H,9-10H2,1-3H3/t17-/m0/s1
InChIKeyHRBUQBKWEZHMNM-KRWDZBQOSA-N
XLogP3.38
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185
N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 46955539
(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92562330
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 82730797
2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
CID 110222226
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
CID 110222235
N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92562309
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-3-ylmethanamine
CID 63305628
N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 65476888
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 105406043
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224120

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine (CID 92562333) is N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine is Cc1cccnc1[C@H](Cc1ccsc1)NCc1cnc(N(C)C)nc1.
What is the InChIKey of N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is HRBUQBKWEZHMNM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5S/c1-14-5-4-7-20-18(14)17(9-15-6-8-25-13-15)21-10-16-11-22-19(23-12-16)24(2)3/h4-8,11-13,17,21H,9-10H2,1-3H3/t17-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine has a molecular weight of 353.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 92562333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).