1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C14H20N6OS — CID 75505217

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(C(C)CNC(=O)Nc2cncnc2N(C)C)n1
InChIInChI=1S/C14H20N6OS/c1-9(13-18-10(2)7-22-13)5-16-14(21)19-11-6-15-8-17-12(11)20(3)4/h6-9H,5H2,1-4H3,(H2,16,19,21)
InChIKeyHFMGKDZYLWJARA-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.23
Rot. Bonds5

About 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 75505217) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID75505217
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(C(C)CNC(=O)Nc2cncnc2N(C)C)n1
InChIInChI=1S/C14H20N6OS/c1-9(13-18-10(2)7-22-13)5-16-14(21)19-11-6-15-8-17-12(11)20(3)4/h6-9H,5H2,1-4H3,(H2,16,19,21)
InChIKeyHFMGKDZYLWJARA-UHFFFAOYSA-N
XLogP2.23
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-tert-butylpyrazol-4-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505131
1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 99840415
N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
CID 75477530
1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505356
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 75521636
N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide
CID 75477546
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521277
1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477535
1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505155
N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide
CID 124617062
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75504510
2-[methyl(piperidin-4-yl)amino]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 125160379

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 75505217) is 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1csc(C(C)CNC(=O)Nc2cncnc2N(C)C)n1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is HFMGKDZYLWJARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-9(13-18-10(2)7-22-13)5-16-14(21)19-11-6-15-8-17-12(11)20(3)4/h6-9H,5H2,1-4H3,(H2,16,19,21).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 320.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75505217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).