6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine

C14H21N5S — CID 80828380

IUPAC6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCc1nc(C)cs1
InChIInChI=1S/C14H21N5S/c1-4-5-11-13(15-3)17-9-18-14(11)16-7-6-12-19-10(2)8-20-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyVTBUAHQCVDXDJH-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.89
Rot. Bonds7

About 6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine

6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 80828380) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
PubChem CID80828380
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCc1nc(C)cs1
InChIInChI=1S/C14H21N5S/c1-4-5-11-13(15-3)17-9-18-14(11)16-7-6-12-19-10(2)8-20-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyVTBUAHQCVDXDJH-UHFFFAOYSA-N
XLogP2.89
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
6-ethoxy-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 66326868
6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424383
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106041779
3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine
CID 102758195
5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828020
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80821940

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine (CID 80828380) is 6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCCc1nc(C)cs1.
What is the InChIKey of 6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is VTBUAHQCVDXDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-4-5-11-13(15-3)17-9-18-14(11)16-7-6-12-19-10(2)8-20-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 291.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80828380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).