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

C24H32N8S — CID 135286434

IUPACN-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1
InChIInChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(H,25,26,28,29)
InChIKeyOHNWSWSUMDWFSA-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.18
Rot. Bonds6

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

N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 135286434) has the molecular formula C24H32N8S and a molecular weight of 464.64 g/mol. Its IUPAC name is N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID135286434
Molecular FormulaC24H32N8S
Molecular Weight464.64 g/mol
Exact Mass464.25
IUPAC NameN-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1
InChIInChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(H,25,26,28,29)
InChIKeyOHNWSWSUMDWFSA-UHFFFAOYSA-N
XLogP4.18
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 135286434) is N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(N(C)C2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1.
What is the InChIKey of N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is OHNWSWSUMDWFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(H,25,26,28,29).
What are the key properties of N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 464.64 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 135286434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).