2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine

C15H18N6S2 — CID 71857717

IUPAC2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)Cc2nccs2)nc1N(C)Cc1nccs1
InChIInChI=1S/C15H18N6S2/c1-11-8-18-15(21(3)10-13-17-5-7-23-13)19-14(11)20(2)9-12-16-4-6-22-12/h4-8H,9-10H2,1-3H3
InChIKeyVGZLYLCAFNHUCR-UHFFFAOYSA-N
MW346.49 g/mol
LogP2.97
Rot. Bonds6

About 2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine

2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 71857717) has the molecular formula C15H18N6S2 and a molecular weight of 346.49 g/mol. Its IUPAC name is 2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID71857717
Molecular FormulaC15H18N6S2
Molecular Weight346.49 g/mol
Exact Mass346.10
IUPAC Name2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)Cc2nccs2)nc1N(C)Cc1nccs1
InChIInChI=1S/C15H18N6S2/c1-11-8-18-15(21(3)10-13-17-5-7-23-13)19-14(11)20(2)9-12-16-4-6-22-12/h4-8H,9-10H2,1-3H3
InChIKeyVGZLYLCAFNHUCR-UHFFFAOYSA-N
XLogP2.97
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine (CID 71857717) is 2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cnc(N(C)Cc2nccs2)nc1N(C)Cc1nccs1.
What is the InChIKey of 2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VGZLYLCAFNHUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S2/c1-11-8-18-15(21(3)10-13-17-5-7-23-13)19-14(11)20(2)9-12-16-4-6-22-12/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 346.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71857717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).