6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C13H19N5O — CID 136820584

IUPAC6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](C1CC1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C13H19N5O/c1-8(9-4-5-9)17(2)7-11-15-12-10(13(19)16-11)6-14-18(12)3/h6,8-9H,4-5,7H2,1-3H3,(H,15,16,19)/t8-/m0/s1
InChIKeyFYZGMPBRKSIJCH-QMMMGPOBSA-N
MW261.33 g/mol
LogP0.89
Rot. Bonds4

About 6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136820584) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136820584
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](C1CC1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C13H19N5O/c1-8(9-4-5-9)17(2)7-11-15-12-10(13(19)16-11)6-14-18(12)3/h6,8-9H,4-5,7H2,1-3H3,(H,15,16,19)/t8-/m0/s1
InChIKeyFYZGMPBRKSIJCH-QMMMGPOBSA-N
XLogP0.89
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136820584) is 6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H](C1CC1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1.
What is the InChIKey of 6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FYZGMPBRKSIJCH-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8(9-4-5-9)17(2)7-11-15-12-10(13(19)16-11)6-14-18(12)3/h6,8-9H,4-5,7H2,1-3H3,(H,15,16,19)/t8-/m0/s1.
What are the key properties of 6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 261.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136820584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).