1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea

C18H20N8O2S — CID 71207269

IUPAC1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea
SMILESNc1ncc(-c2nc(NC(=O)Nc3cccc(OC[C@H]4CCCN4)n3)cs2)cn1
InChIInChI=1S/C18H20N8O2S/c19-17-21-7-11(8-22-17)16-24-14(10-29-16)26-18(27)25-13-4-1-5-15(23-13)28-9-12-3-2-6-20-12/h1,4-5,7-8,10,12,20H,2-3,6,9H2,(H2,19,21,22)(H2,23,25,26,27)/t12-/m1/s1
InChIKeyUPLMIZJFVWNQFS-GFCCVEGCSA-N
MW412.48 g/mol
LogP2.35
Rot. Bonds6

About 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea

1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea (PubChem CID 71207269) has the molecular formula C18H20N8O2S and a molecular weight of 412.48 g/mol. Its IUPAC name is 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea
PubChem CID71207269
Molecular FormulaC18H20N8O2S
Molecular Weight412.48 g/mol
Exact Mass412.14
IUPAC Name1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea
SMILESNc1ncc(-c2nc(NC(=O)Nc3cccc(OC[C@H]4CCCN4)n3)cs2)cn1
InChIInChI=1S/C18H20N8O2S/c19-17-21-7-11(8-22-17)16-24-14(10-29-16)26-18(27)25-13-4-1-5-15(23-13)28-9-12-3-2-6-20-12/h1,4-5,7-8,10,12,20H,2-3,6,9H2,(H2,19,21,22)(H2,23,25,26,27)/t12-/m1/s1
InChIKeyUPLMIZJFVWNQFS-GFCCVEGCSA-N
XLogP2.35
TPSA139.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea
CID 18772126
tert-butyl 4-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 59110576
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-[6-(1-pyrrolidin-3-ylethoxy)-2-pyridinyl]urea
CID 18771808
1-[6-[(2-tert-butyl-1H-pyrrol-3-yl)methoxy]-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 158728867
1-[6-(2-oxo-2-pyridin-3-yl-1-pyrrolidin-3-ylethoxy)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771937
1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771694
1-(6-bromo-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 23109079
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
6-ethoxy-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 63591675
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-[6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]urea
CID 18771874
2-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 117096153
3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridazine;hydrochloride
CID 167527179

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea?
The IUPAC name of 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea (CID 71207269) is 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea.
What is the SMILES notation for 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea?
The canonical SMILES for 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea is Nc1ncc(-c2nc(NC(=O)Nc3cccc(OC[C@H]4CCCN4)n3)cs2)cn1.
What is the InChIKey of 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea?
The InChIKey is UPLMIZJFVWNQFS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N8O2S/c19-17-21-7-11(8-22-17)16-24-14(10-29-16)26-18(27)25-13-4-1-5-15(23-13)28-9-12-3-2-6-20-12/h1,4-5,7-8,10,12,20H,2-3,6,9H2,(H2,19,21,22)(H2,23,25,26,27)/t12-/m1/s1.
What are the key properties of 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea?
1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea has a molecular weight of 412.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea is sourced from PubChem (CID 71207269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).