6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol

C25H32FN7O — CID 137150127

IUPAC6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol
SMILESCCCc1c(-c2nc(-c3ccnc(N)c3F)ccc2O)nc(N)nc1C1CCN(C(C)C)CC1
InChIInChI=1S/C25H32FN7O/c1-4-5-17-21(15-9-12-33(13-10-15)14(2)3)31-25(28)32-22(17)23-19(34)7-6-18(30-23)16-8-11-29-24(27)20(16)26/h6-8,11,14-15,34H,4-5,9-10,12-13H2,1-3H3,(H2,27,29)(H2,28,31,32)
InChIKeyYIGVHROHRQFAEZ-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.15
Rot. Bonds6

About 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol

6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol (PubChem CID 137150127) has the molecular formula C25H32FN7O and a molecular weight of 465.58 g/mol. Its IUPAC name is 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol
PubChem CID137150127
Molecular FormulaC25H32FN7O
Molecular Weight465.58 g/mol
Exact Mass465.27
IUPAC Name6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol
SMILESCCCc1c(-c2nc(-c3ccnc(N)c3F)ccc2O)nc(N)nc1C1CCN(C(C)C)CC1
InChIInChI=1S/C25H32FN7O/c1-4-5-17-21(15-9-12-33(13-10-15)14(2)3)31-25(28)32-22(17)23-19(34)7-6-18(30-23)16-8-11-29-24(27)20(16)26/h6-8,11,14-15,34H,4-5,9-10,12-13H2,1-3H3,(H2,27,29)(H2,28,31,32)
InChIKeyYIGVHROHRQFAEZ-UHFFFAOYSA-N
XLogP4.15
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol with MolForge

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Related Compounds

Avotaciclib
CID 137150099
3-(6-Morpholino-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl)phenol
CID 53318739
US11420970, Example 214
CID 156073468
US11420970, Example 239
CID 156073471
4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((4-(6-methyl-2-(1-piperidinyl)-4-pyrimidinyl)-1-piperazinyl)methyl)-
CID 3053195
Tanuxiciclib
CID 137150090
4-(2-Amino-6-{bis[(Pyridin-2-Yl)methyl]amino}pyrimidin-4-Yl)phenol
CID 135567168
4-[4-(4-Morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol
CID 155564494
4-[2-propan-2-yl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299118
4-[2-propan-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299131
4-[2-methyl-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299238
2-Fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10316881

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol?
The IUPAC name of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol (CID 137150127) is 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol.
What is the SMILES notation for 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol?
The canonical SMILES for 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol is CCCc1c(-c2nc(-c3ccnc(N)c3F)ccc2O)nc(N)nc1C1CCN(C(C)C)CC1.
What is the InChIKey of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol?
The InChIKey is YIGVHROHRQFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O/c1-4-5-17-21(15-9-12-33(13-10-15)14(2)3)31-25(28)32-22(17)23-19(34)7-6-18(30-23)16-8-11-29-24(27)20(16)26/h6-8,11,14-15,34H,4-5,9-10,12-13H2,1-3H3,(H2,27,29)(H2,28,31,32).
What are the key properties of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol?
6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol has a molecular weight of 465.58 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-4-yl)-5-propylpyrimidin-4-yl]pyridin-3-ol is sourced from PubChem (CID 137150127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).