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

C14H21N5S — CID 80807042

IUPAC6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NCc1csc(C)n1
InChIInChI=1S/C14H21N5S/c1-4-6-12-13(15-5-2)17-9-18-14(12)16-7-11-8-20-10(3)19-11/h8-9H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyDYWNCXCXNHRNJE-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.24
Rot. Bonds7

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

6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 80807042) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
PubChem CID80807042
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NCc1csc(C)n1
InChIInChI=1S/C14H21N5S/c1-4-6-12-13(15-5-2)17-9-18-14(12)16-7-11-8-20-10(3)19-11/h8-9H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyDYWNCXCXNHRNJE-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106041779
2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807145
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041611
6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 80897968
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729301
4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80784173
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile
CID 62672892
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80807868
6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80808044

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine (CID 80807042) is 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1NCc1csc(C)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is DYWNCXCXNHRNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-4-6-12-13(15-5-2)17-9-18-14(12)16-7-11-8-20-10(3)19-11/h8-9H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80807042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).