2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol

C19H24N6O3S — CID 70659898

IUPAC2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol
SMILESCC#CC1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ncc(C(C)(C)O)cn1
InChIInChI=1S/C19H24N6O3S/c1-4-5-15-13-24(29(27,28)16-6-7-17(20)21-12-16)8-9-25(15)18-22-10-14(11-23-18)19(2,3)26/h6-7,10-12,15,26H,8-9,13H2,1-3H3,(H2,20,21)
InChIKeyHTVMNNVHMDPLAX-UHFFFAOYSA-N
MW416.51 g/mol
LogP0.58
Rot. Bonds4

About 2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol

2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol (PubChem CID 70659898) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol
PubChem CID70659898
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC Name2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol
SMILESCC#CC1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ncc(C(C)(C)O)cn1
InChIInChI=1S/C19H24N6O3S/c1-4-5-15-13-24(29(27,28)16-6-7-17(20)21-12-16)8-9-25(15)18-22-10-14(11-23-18)19(2,3)26/h6-7,10-12,15,26H,8-9,13H2,1-3H3,(H2,20,21)
InChIKeyHTVMNNVHMDPLAX-UHFFFAOYSA-N
XLogP0.58
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 71715584
2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-3,3,3-trifluoropropane-1,2-diol
CID 71715700
2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 73291808
6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-N-methylpyridine-3-sulfonamide
CID 73332275
2-[2-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87058555
(2R)-2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 89760985
(2S)-2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 89761168
(2S)-2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-3,3,3-trifluoropropane-1,2-diol
CID 89761475
(2R)-2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-3,3,3-trifluoropropane-1,2-diol
CID 89762388
N-[5-[2-[4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 60141051
N-[5-[2-[4-ethyl-6-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 60141192
N-[5-[2-[4-ethyl-6-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 60141615

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol (CID 70659898) is 2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol is CC#CC1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ncc(C(C)(C)O)cn1.
What is the InChIKey of 2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
The InChIKey is HTVMNNVHMDPLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-4-5-15-13-24(29(27,28)16-6-7-17(20)21-12-16)8-9-25(15)18-22-10-14(11-23-18)19(2,3)26/h6-7,10-12,15,26H,8-9,13H2,1-3H3,(H2,20,21).
What are the key properties of 2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol has a molecular weight of 416.51 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 70659898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).