3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one

C13H19N5O — CID 138105960

IUPAC3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCN1CCC[C@@H](Nc2nc3cc[nH]c3c(=O)n2C)C1
InChIInChI=1S/C13H19N5O/c1-17-7-3-4-9(8-17)15-13-16-10-5-6-14-11(10)12(19)18(13)2/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyDIBDHOFCFXCFCB-SECBINFHSA-N
MW261.33 g/mol
LogP0.77
Rot. Bonds2

About 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one

3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 138105960) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID138105960
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCN1CCC[C@@H](Nc2nc3cc[nH]c3c(=O)n2C)C1
InChIInChI=1S/C13H19N5O/c1-17-7-3-4-9(8-17)15-13-16-10-5-6-14-11(10)12(19)18(13)2/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyDIBDHOFCFXCFCB-SECBINFHSA-N
XLogP0.77
TPSA65.95 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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

9-Deazaguanine
CID 135461003
Peldesine
CID 135413525
9-Deazahypoxanthine
CID 135488881
1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3-dimethyl-
CID 206249
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
1,3-Dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10376784
7-Pyridin-3-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135524425
2-Amino-7-pyridin-2-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135552935
2-Amino-7-pyridin-4-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135552936
[4-[3-(ethylamino)-2-pyridyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 455383
1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3,5-trimethyl-
CID 3043224
2-amino-6-methyl-5-(4-pyridylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749906

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one (CID 138105960) is 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one is CN1CCC[C@@H](Nc2nc3cc[nH]c3c(=O)n2C)C1.
What is the InChIKey of 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is DIBDHOFCFXCFCB-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N5O/c1-17-7-3-4-9(8-17)15-13-16-10-5-6-14-11(10)12(19)18(13)2/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 261.33 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 138105960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).