4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C13H19N5O — CID 67965299

IUPAC4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESC[C@@H]1CCNC[C@@H]1N(C)c1ncnc2c1CC(=O)N2
InChIInChI=1S/C13H19N5O/c1-8-3-4-14-6-10(8)18(2)13-9-5-11(19)17-12(9)15-7-16-13/h7-8,10,14H,3-6H2,1-2H3,(H,15,16,17,19)/t8-,10+/m1/s1
InChIKeyFHPPLXFTTSCCLA-SCZZXKLOSA-N
MW261.33 g/mol
LogP0.41
Rot. Bonds2

About 4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 67965299) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID67965299
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESC[C@@H]1CCNC[C@@H]1N(C)c1ncnc2c1CC(=O)N2
InChIInChI=1S/C13H19N5O/c1-8-3-4-14-6-10(8)18(2)13-9-5-11(19)17-12(9)15-7-16-13/h7-8,10,14H,3-6H2,1-2H3,(H,15,16,17,19)/t8-,10+/m1/s1
InChIKeyFHPPLXFTTSCCLA-SCZZXKLOSA-N
XLogP0.41
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 67965299) is 4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is C[C@@H]1CCNC[C@@H]1N(C)c1ncnc2c1CC(=O)N2.
What is the InChIKey of 4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is FHPPLXFTTSCCLA-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-3-4-14-6-10(8)18(2)13-9-5-11(19)17-12(9)15-7-16-13/h7-8,10,14H,3-6H2,1-2H3,(H,15,16,17,19)/t8-,10+/m1/s1.
What are the key properties of 4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 261.33 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 67965299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).