(3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol

C23H27N5O2 — CID 73213502

IUPAC(3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCCOc1ccccc1CCNc1cc(-c2ccc(N3CC[C@H](O)C3)nc2)ncn1
InChIInChI=1S/C23H27N5O2/c1-2-30-21-6-4-3-5-17(21)9-11-24-22-13-20(26-16-27-22)18-7-8-23(25-14-18)28-12-10-19(29)15-28/h3-8,13-14,16,19,29H,2,9-12,15H2,1H3,(H,24,26,27)/t19-/m0/s1
InChIKeyBADUBWKXBQMNEL-IBGZPJMESA-N
MW405.50 g/mol
LogP3.16
Rot. Bonds8

About (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol

(3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 73213502) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol
PubChem CID73213502
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCCOc1ccccc1CCNc1cc(-c2ccc(N3CC[C@H](O)C3)nc2)ncn1
InChIInChI=1S/C23H27N5O2/c1-2-30-21-6-4-3-5-17(21)9-11-24-22-13-20(26-16-27-22)18-7-8-23(25-14-18)28-12-10-19(29)15-28/h3-8,13-14,16,19,29H,2,9-12,15H2,1H3,(H,24,26,27)/t19-/m0/s1
InChIKeyBADUBWKXBQMNEL-IBGZPJMESA-N
XLogP3.16
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol with MolForge

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Related Compounds

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1-({1-[2-({3,5-Dimethyl-4-[2-(Pyrrolidin-1-Yl)ethoxy]phenyl}amino)pyrimidin-4-Yl]-4-Methyl-1h-Pyrrol-3-Yl}methyl)azetidin-3-Ol
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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol (CID 73213502) is (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol is CCOc1ccccc1CCNc1cc(-c2ccc(N3CC[C@H](O)C3)nc2)ncn1.
What is the InChIKey of (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is BADUBWKXBQMNEL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-30-21-6-4-3-5-17(21)9-11-24-22-13-20(26-16-27-22)18-7-8-23(25-14-18)28-12-10-19(29)15-28/h3-8,13-14,16,19,29H,2,9-12,15H2,1H3,(H,24,26,27)/t19-/m0/s1.
What are the key properties of (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
(3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 405.50 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 73213502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).