4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C11H16N6O — CID 39782435

IUPAC4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOC[C@@H]1CCN(c2nc(N)nc3[nH]ncc23)C1
InChIInChI=1S/C11H16N6O/c1-18-6-7-2-3-17(5-7)10-8-4-13-16-9(8)14-11(12)15-10/h4,7H,2-3,5-6H2,1H3,(H3,12,13,14,15,16)/t7-/m1/s1
InChIKeyHJNXQEMYGZCUDJ-SSDOTTSWSA-N
MW248.29 g/mol
LogP0.41
Rot. Bonds3

About 4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 39782435) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID39782435
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOC[C@@H]1CCN(c2nc(N)nc3[nH]ncc23)C1
InChIInChI=1S/C11H16N6O/c1-18-6-7-2-3-17(5-7)10-8-4-13-16-9(8)14-11(12)15-10/h4,7H,2-3,5-6H2,1H3,(H3,12,13,14,15,16)/t7-/m1/s1
InChIKeyHJNXQEMYGZCUDJ-SSDOTTSWSA-N
XLogP0.41
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 80844727
[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 178104863
(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol
CID 133129460
[1-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629759
4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 162633660
4-hydrazinyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80918018
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol
CID 178104706
4-(2-ethyl-5-methylpyrrolidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83224574
[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine
CID 80917706
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155798985
N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 102971502

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 39782435) is 4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is COC[C@@H]1CCN(c2nc(N)nc3[nH]ncc23)C1.
What is the InChIKey of 4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is HJNXQEMYGZCUDJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N6O/c1-18-6-7-2-3-17(5-7)10-8-4-13-16-9(8)14-11(12)15-10/h4,7H,2-3,5-6H2,1H3,(H3,12,13,14,15,16)/t7-/m1/s1.
What are the key properties of 4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 248.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 39782435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).