(2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol

C20H29N5O — CID 97059179

IUPAC(2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol
SMILESCCc1cc(NC2CCN(C[C@@H](O)CC)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C20H29N5O/c1-3-15-13-19(24-20(23-15)18-7-5-6-10-21-18)22-16-8-11-25(12-9-16)14-17(26)4-2/h5-7,10,13,16-17,26H,3-4,8-9,11-12,14H2,1-2H3,(H,22,23,24)/t17-/m0/s1
InChIKeyMVDQHSIWOQSOFQ-KRWDZBQOSA-N
MW355.49 g/mol
LogP2.75
Rot. Bonds7

About (2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol

(2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol (PubChem CID 97059179) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is (2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol
PubChem CID97059179
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name(2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol
SMILESCCc1cc(NC2CCN(C[C@@H](O)CC)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C20H29N5O/c1-3-15-13-19(24-20(23-15)18-7-5-6-10-21-18)22-16-8-11-25(12-9-16)14-17(26)4-2/h5-7,10,13,16-17,26H,3-4,8-9,11-12,14H2,1-2H3,(H,22,23,24)/t17-/m0/s1
InChIKeyMVDQHSIWOQSOFQ-KRWDZBQOSA-N
XLogP2.75
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol?
The IUPAC name of (2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol (CID 97059179) is (2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol is CCc1cc(NC2CCN(C[C@@H](O)CC)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of (2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol?
The InChIKey is MVDQHSIWOQSOFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N5O/c1-3-15-13-19(24-20(23-15)18-7-5-6-10-21-18)22-16-8-11-25(12-9-16)14-17(26)4-2/h5-7,10,13,16-17,26H,3-4,8-9,11-12,14H2,1-2H3,(H,22,23,24)/t17-/m0/s1.
What are the key properties of (2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol?
(2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol has a molecular weight of 355.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 97059179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).