5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C10H15N5O — CID 104523275

IUPAC5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(C(C)(C)CN)cnc21
InChIInChI=1S/C10H15N5O/c1-10(2,5-11)15-6-12-8-7(9(15)16)4-13-14(8)3/h4,6H,5,11H2,1-3H3
InChIKeyLRZQDYFBLJPAIA-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.18
Rot. Bonds2

About 5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 104523275) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID104523275
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(C(C)(C)CN)cnc21
InChIInChI=1S/C10H15N5O/c1-10(2,5-11)15-6-12-8-7(9(15)16)4-13-14(8)3/h4,6H,5,11H2,1-3H3
InChIKeyLRZQDYFBLJPAIA-UHFFFAOYSA-N
XLogP-0.18
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63315808
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 43423148
5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63276931
5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63912676
1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277513
5-[2-(4-chloroanilino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62566016
5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55088277
5-[2-(butylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62565634
2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63194332

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 104523275) is 5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(C(C)(C)CN)cnc21.
What is the InChIKey of 5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LRZQDYFBLJPAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-10(2,5-11)15-6-12-8-7(9(15)16)4-13-14(8)3/h4,6H,5,11H2,1-3H3.
What are the key properties of 5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropan-2-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 104523275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).