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

C22H27N7OS — CID 126535109

IUPACN-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cn2)n1
InChIInChI=1S/C22H27N7OS/c1-15-20(31-22(25-15)26-16-4-2-3-5-16)18-8-9-23-21(27-18)28-19-7-6-17(14-24-19)29-10-12-30-13-11-29/h6-9,14,16H,2-5,10-13H2,1H3,(H,25,26)(H,23,24,27,28)
InChIKeyUGKFAPJXEKVBHI-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.24
Rot. Bonds6

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

N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 126535109) has the molecular formula C22H27N7OS and a molecular weight of 437.57 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID126535109
Molecular FormulaC22H27N7OS
Molecular Weight437.57 g/mol
Exact Mass437.20
IUPAC NameN-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cn2)n1
InChIInChI=1S/C22H27N7OS/c1-15-20(31-22(25-15)26-16-4-2-3-5-16)18-8-9-23-21(27-18)28-19-7-6-17(14-24-19)29-10-12-30-13-11-29/h6-9,14,16H,2-5,10-13H2,1H3,(H,25,26)(H,23,24,27,28)
InChIKeyUGKFAPJXEKVBHI-UHFFFAOYSA-N
XLogP4.24
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 126535109) is N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cn2)n1.
What is the InChIKey of N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is UGKFAPJXEKVBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS/c1-15-20(31-22(25-15)26-16-4-2-3-5-16)18-8-9-23-21(27-18)28-19-7-6-17(14-24-19)29-10-12-30-13-11-29/h6-9,14,16H,2-5,10-13H2,1H3,(H,25,26)(H,23,24,27,28).
What are the key properties of N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 437.57 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126535109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).