4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C11H16N6O — CID 114114614

IUPAC4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCC1(Nc2nc(N)nc3[nH]ncc23)CCCOC1
InChIInChI=1S/C11H16N6O/c1-11(3-2-4-18-6-11)16-8-7-5-13-17-9(7)15-10(12)14-8/h5H,2-4,6H2,1H3,(H4,12,13,14,15,16,17)
InChIKeyRZPLELKZSXWJLF-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.92
Rot. Bonds2

About 4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 114114614) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID114114614
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCC1(Nc2nc(N)nc3[nH]ncc23)CCCOC1
InChIInChI=1S/C11H16N6O/c1-11(3-2-4-18-6-11)16-8-7-5-13-17-9(7)15-10(12)14-8/h5H,2-4,6H2,1H3,(H4,12,13,14,15,16,17)
InChIKeyRZPLELKZSXWJLF-UHFFFAOYSA-N
XLogP0.92
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,2-dimethylhydrazinyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83026942
5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine
CID 114114617
2-methyl-4-[(3-methyloxan-3-yl)amino]pyrimidine-5-carboxylic acid
CID 114214825
5-chloro-2-N-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-2,4-diamine
CID 114114652
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 114122145
4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 76847078
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 114157121
6-chloro-2-methyl-N-(3-methyloxan-3-yl)pyrimidin-4-amine
CID 103895836
2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532744
4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 114112598
2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322515

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 114114614) is 4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CC1(Nc2nc(N)nc3[nH]ncc23)CCCOC1.
What is the InChIKey of 4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is RZPLELKZSXWJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-11(3-2-4-18-6-11)16-8-7-5-13-17-9(7)15-10(12)14-8/h5H,2-4,6H2,1H3,(H4,12,13,14,15,16,17).
What are the key properties of 4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 248.29 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 114114614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).