4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine

C16H23N5OS — CID 133382668

IUPAC4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NCC(c2cccs2)N2CCOCC2)n1
InChIInChI=1S/C16H23N5OS/c1-20(2)15-5-6-17-16(19-15)18-12-13(14-4-3-11-23-14)21-7-9-22-10-8-21/h3-6,11,13H,7-10,12H2,1-2H3,(H,17,18,19)
InChIKeyDAADOHWLSBISAJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.09
Rot. Bonds6

About 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine (PubChem CID 133382668) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
PubChem CID133382668
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NCC(c2cccs2)N2CCOCC2)n1
InChIInChI=1S/C16H23N5OS/c1-20(2)15-5-6-17-16(19-15)18-12-13(14-4-3-11-23-14)21-7-9-22-10-8-21/h3-6,11,13H,7-10,12H2,1-2H3,(H,17,18,19)
InChIKeyDAADOHWLSBISAJ-UHFFFAOYSA-N
XLogP2.09
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 95773118
N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 98774946
2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133382457
6-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 94003063
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 127616527
2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentanamine
CID 167947795
3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-en-1-amine
CID 119160583
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
3-cyclopropyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2,4-oxadiazol-5-amine
CID 95772861
4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine
CID 95134762

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine (CID 133382668) is 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine is CN(C)c1ccnc(NCC(c2cccs2)N2CCOCC2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is DAADOHWLSBISAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-20(2)15-5-6-17-16(19-15)18-12-13(14-4-3-11-23-14)21-7-9-22-10-8-21/h3-6,11,13H,7-10,12H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 333.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133382668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).