6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine

C14H16N6S2 — CID 146105270

IUPAC6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1cc(NCc2nccs2)nc(NCc2nccs2)n1
InChIInChI=1S/C14H16N6S2/c1-2-10-7-11(17-8-12-15-3-5-21-12)20-14(19-10)18-9-13-16-4-6-22-13/h3-7H,2,8-9H2,1H3,(H2,17,18,19,20)
InChIKeyLXVPKKLGASQOHT-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.18
Rot. Bonds7

About 6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine

6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 146105270) has the molecular formula C14H16N6S2 and a molecular weight of 332.46 g/mol. Its IUPAC name is 6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID146105270
Molecular FormulaC14H16N6S2
Molecular Weight332.46 g/mol
Exact Mass332.09
IUPAC Name6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1cc(NCc2nccs2)nc(NCc2nccs2)n1
InChIInChI=1S/C14H16N6S2/c1-2-10-7-11(17-8-12-15-3-5-21-12)20-14(19-10)18-9-13-16-4-6-22-13/h3-7H,2,8-9H2,1H3,(H2,17,18,19,20)
InChIKeyLXVPKKLGASQOHT-UHFFFAOYSA-N
XLogP3.18
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564512
6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 62482738
5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362504
2-(methoxymethyl)-6-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 113401430
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80807450
2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80782409
6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775511
2-cyclopropyl-6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80964171
6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80953226
5-ethyl-N-(1,3-thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 103933936
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine (CID 146105270) is 6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine is CCc1cc(NCc2nccs2)nc(NCc2nccs2)n1.
What is the InChIKey of 6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is LXVPKKLGASQOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S2/c1-2-10-7-11(17-8-12-15-3-5-21-12)20-14(19-10)18-9-13-16-4-6-22-13/h3-7H,2,8-9H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 332.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 146105270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).