N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine

C22H26FN7OS — CID 135296341

IUPACN-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(N3CCOCC3)cn2)ncc1F
InChIInChI=1S/C22H26FN7OS/c1-14-20(32-22(26-14)27-15-4-2-3-5-15)19-17(23)13-25-21(29-19)28-18-7-6-16(12-24-18)30-8-10-31-11-9-30/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,26,27)(H,24,25,28,29)
InChIKeyULIMVSSEPMLVHV-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.38
Rot. Bonds6

About N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine

N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 135296341) has the molecular formula C22H26FN7OS and a molecular weight of 455.56 g/mol. Its IUPAC name is N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID135296341
Molecular FormulaC22H26FN7OS
Molecular Weight455.56 g/mol
Exact Mass455.19
IUPAC NameN-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(N3CCOCC3)cn2)ncc1F
InChIInChI=1S/C22H26FN7OS/c1-14-20(32-22(26-14)27-15-4-2-3-5-15)19-17(23)13-25-21(29-19)28-18-7-6-16(12-24-18)30-8-10-31-11-9-30/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,26,27)(H,24,25,28,29)
InChIKeyULIMVSSEPMLVHV-UHFFFAOYSA-N
XLogP4.38
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 135296341) is N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(N3CCOCC3)cn2)ncc1F.
What is the InChIKey of N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ULIMVSSEPMLVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7OS/c1-14-20(32-22(26-14)27-15-4-2-3-5-15)19-17(23)13-25-21(29-19)28-18-7-6-16(12-24-18)30-8-10-31-11-9-30/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,26,27)(H,24,25,28,29).
What are the key properties of N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 455.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 135296341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).