2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine

C16H25N7S — CID 172881079

IUPAC2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)c1nsc(N2CCC(N(C)c3nccc(N(C)C)n3)C2)n1
InChIInChI=1S/C16H25N7S/c1-11(2)14-19-16(24-20-14)23-9-7-12(10-23)22(5)15-17-8-6-13(18-15)21(3)4/h6,8,11-12H,7,9-10H2,1-5H3
InChIKeyUCYCHSMBTSVIII-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.23
Rot. Bonds5

About 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 172881079) has the molecular formula C16H25N7S and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
PubChem CID172881079
Molecular FormulaC16H25N7S
Molecular Weight347.49 g/mol
Exact Mass347.19
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)c1nsc(N2CCC(N(C)c3nccc(N(C)C)n3)C2)n1
InChIInChI=1S/C16H25N7S/c1-11(2)14-19-16(24-20-14)23-9-7-12(10-23)22(5)15-17-8-6-13(18-15)21(3)4/h6,8,11-12H,7,9-10H2,1-5H3
InChIKeyUCYCHSMBTSVIII-UHFFFAOYSA-N
XLogP2.23
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881199
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 79867771
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 166600619
1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976770
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
4-[3-[[4-(dimethylamino)pyrimidin-2-yl]-methylamino]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 171999500
2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171998000
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133428769
2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171995509
2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126917402
2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide
CID 133354661

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine (CID 172881079) is 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine is CC(C)c1nsc(N2CCC(N(C)c3nccc(N(C)C)n3)C2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is UCYCHSMBTSVIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7S/c1-11(2)14-19-16(24-20-14)23-9-7-12(10-23)22(5)15-17-8-6-13(18-15)21(3)4/h6,8,11-12H,7,9-10H2,1-5H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 347.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 172881079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).