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

C25H34N8S — CID 135286343

IUPACN-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCCN1CCN(Cc2ccc(Nc3nccc(-c4sc(NC5CCCC5)nc4C)n3)nc2)CC1
InChIInChI=1S/C25H34N8S/c1-3-32-12-14-33(15-13-32)17-19-8-9-22(27-16-19)31-24-26-11-10-21(30-24)23-18(2)28-25(34-23)29-20-6-4-5-7-20/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,28,29)(H,26,27,30,31)
InChIKeyVJFMIBISXQANRG-UHFFFAOYSA-N
MW478.67 g/mol
LogP4.54
Rot. Bonds8

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

N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 135286343) has the molecular formula C25H34N8S and a molecular weight of 478.67 g/mol. Its IUPAC name is N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID135286343
Molecular FormulaC25H34N8S
Molecular Weight478.67 g/mol
Exact Mass478.26
IUPAC NameN-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCCN1CCN(Cc2ccc(Nc3nccc(-c4sc(NC5CCCC5)nc4C)n3)nc2)CC1
InChIInChI=1S/C25H34N8S/c1-3-32-12-14-33(15-13-32)17-19-8-9-22(27-16-19)31-24-26-11-10-21(30-24)23-18(2)28-25(34-23)29-20-6-4-5-7-20/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,28,29)(H,26,27,30,31)
InChIKeyVJFMIBISXQANRG-UHFFFAOYSA-N
XLogP4.54
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.67
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 135286343) is N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is CCN1CCN(Cc2ccc(Nc3nccc(-c4sc(NC5CCCC5)nc4C)n3)nc2)CC1.
What is the InChIKey of N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is VJFMIBISXQANRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8S/c1-3-32-12-14-33(15-13-32)17-19-8-9-22(27-16-19)31-24-26-11-10-21(30-24)23-18(2)28-25(34-23)29-20-6-4-5-7-20/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,28,29)(H,26,27,30,31).
What are the key properties of N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 478.67 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 135286343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).