N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine

C12H18N6 — CID 55205917

IUPACN-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(c1ncnc2c1cnn2C)C1CCNC1
InChIInChI=1S/C12H18N6/c1-3-18(9-4-5-13-6-9)12-10-7-16-17(2)11(10)14-8-15-12/h7-9,13H,3-6H2,1-2H3
InChIKeyBUIMWQRUCJTTIR-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.55
Rot. Bonds3

About N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine

N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 55205917) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID55205917
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(c1ncnc2c1cnn2C)C1CCNC1
InChIInChI=1S/C12H18N6/c1-3-18(9-4-5-13-6-9)12-10-7-16-17(2)11(10)14-8-15-12/h7-9,13H,3-6H2,1-2H3
InChIKeyBUIMWQRUCJTTIR-UHFFFAOYSA-N
XLogP0.55
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-methyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 79705738
N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride
CID 154582399
N-cyclopropyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 106600327
1-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 79703221
N-cycloheptyl-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 47159325
3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
CID 55206297
N-ethyl-5-methoxy-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 114600914
2-N-methyl-2-N-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83837840
5-chloro-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369954
3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876124
N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540581
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 55205917) is N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine is CCN(c1ncnc2c1cnn2C)C1CCNC1.
What is the InChIKey of N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is BUIMWQRUCJTTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-18(9-4-5-13-6-9)12-10-7-16-17(2)11(10)14-8-15-12/h7-9,13H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 55205917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).