N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine

C13H18N6 — CID 97405289

IUPACN,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine
SMILESCN(C)Cc1nn(C)c2c1CN(c1ncccn1)C2
InChIInChI=1S/C13H18N6/c1-17(2)8-11-10-7-19(9-12(10)18(3)16-11)13-14-5-4-6-15-13/h4-6H,7-9H2,1-3H3
InChIKeyUAQPUZXQHWGLMA-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.79
Rot. Bonds3

About N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine

N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine (PubChem CID 97405289) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine
PubChem CID97405289
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine
SMILESCN(C)Cc1nn(C)c2c1CN(c1ncccn1)C2
InChIInChI=1S/C13H18N6/c1-17(2)8-11-10-7-19(9-12(10)18(3)16-11)13-14-5-4-6-15-13/h4-6H,7-9H2,1-3H3
InChIKeyUAQPUZXQHWGLMA-UHFFFAOYSA-N
XLogP0.79
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine (CID 97405289) is N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine is CN(C)Cc1nn(C)c2c1CN(c1ncccn1)C2.
What is the InChIKey of N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine?
The InChIKey is UAQPUZXQHWGLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-17(2)8-11-10-7-19(9-12(10)18(3)16-11)13-14-5-4-6-15-13/h4-6H,7-9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine?
N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine has a molecular weight of 258.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanamine is sourced from PubChem (CID 97405289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).