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

C14H21N5S — CID 80845106

IUPAC6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NC(C)c1nccs1
InChIInChI=1S/C14H21N5S/c1-4-6-11-12(15-5-2)17-9-18-13(11)19-10(3)14-16-7-8-20-14/h7-10H,4-6H2,1-3H3,(H2,15,17,18,19)
InChIKeyHVLSDSIVUMFJHS-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.49
Rot. Bonds7

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

6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80845106) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80845106
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NC(C)c1nccs1
InChIInChI=1S/C14H21N5S/c1-4-6-11-12(15-5-2)17-9-18-13(11)19-10(3)14-16-7-8-20-14/h7-10H,4-6H2,1-3H3,(H2,15,17,18,19)
InChIKeyHVLSDSIVUMFJHS-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80825581
6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80822476
6-N-ethyl-5-propyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80783925
6-hydrazinyl-5-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 81006098
4-N-ethyl-6-propoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80825241
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80805122
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80800852
4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80845106) is 6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1NC(C)c1nccs1.
What is the InChIKey of 6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is HVLSDSIVUMFJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-4-6-11-12(15-5-2)17-9-18-13(11)19-10(3)14-16-7-8-20-14/h7-10H,4-6H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80845106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).