4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C13H21N7O — CID 114401493

IUPAC4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCN1CCOC(CNc2nc(NC)nc3[nH]ncc23)C1
InChIInChI=1S/C13H21N7O/c1-3-20-4-5-21-9(8-20)6-15-11-10-7-16-19-12(10)18-13(14-2)17-11/h7,9H,3-6,8H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyCOEKDAFVMNFCPI-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.53
Rot. Bonds5

About 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 114401493) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID114401493
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCN1CCOC(CNc2nc(NC)nc3[nH]ncc23)C1
InChIInChI=1S/C13H21N7O/c1-3-20-4-5-21-9(8-20)6-15-11-10-7-16-19-12(10)18-13(14-2)17-11/h7,9H,3-6,8H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyCOEKDAFVMNFCPI-UHFFFAOYSA-N
XLogP0.53
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
6-ethoxy-2-N-[(4-ethylmorpholin-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114401465
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 113233659
4-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330634
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylimidazol-2-amine
CID 114400676
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
6-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 103880098
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine
CID 115733628
N-[(4-ethylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115663433
N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204537
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 114401493) is 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CCN1CCOC(CNc2nc(NC)nc3[nH]ncc23)C1.
What is the InChIKey of 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is COEKDAFVMNFCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-3-20-4-5-21-9(8-20)6-15-11-10-7-16-19-12(10)18-13(14-2)17-11/h7,9H,3-6,8H2,1-2H3,(H3,14,15,16,17,18,19).
What are the key properties of 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 291.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 114401493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).