4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine

C16H24N6S — CID 172881622

IUPAC4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCc1ncsc1CN1CCCC(Nc2nccc(N(C)C)n2)C1
InChIInChI=1S/C16H24N6S/c1-12-14(23-11-18-12)10-22-8-4-5-13(9-22)19-16-17-7-6-15(20-16)21(2)3/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,19,20)
InChIKeyMGSAOXIJMJPBPA-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.38
Rot. Bonds5

About 4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 172881622) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID172881622
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Name4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCc1ncsc1CN1CCCC(Nc2nccc(N(C)C)n2)C1
InChIInChI=1S/C16H24N6S/c1-12-14(23-11-18-12)10-22-8-4-5-13(9-22)19-16-17-7-6-15(20-16)21(2)3/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,19,20)
InChIKeyMGSAOXIJMJPBPA-UHFFFAOYSA-N
XLogP2.38
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 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) is 4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine is Cc1ncsc1CN1CCCC(Nc2nccc(N(C)C)n2)C1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is MGSAOXIJMJPBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6S/c1-12-14(23-11-18-12)10-22-8-4-5-13(9-22)19-16-17-7-6-15(20-16)21(2)3/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,19,20).
What are the key properties of 4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 332.48 g/mol, XLogP of 2.38, 5 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-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 172881622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).