N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine

C17H28N6 — CID 56906371

IUPACN,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(N(C)CC3CCN(CC(C)C)C3)c12
InChIInChI=1S/C17H28N6/c1-12(2)8-23-7-6-14(10-23)9-21(4)16-15-13(3)20-22(5)17(15)19-11-18-16/h11-12,14H,6-10H2,1-5H3
InChIKeyQGDXBVVRBSJFMO-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.09
Rot. Bonds5

About N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine

N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56906371) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56906371
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC NameN,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(N(C)CC3CCN(CC(C)C)C3)c12
InChIInChI=1S/C17H28N6/c1-12(2)8-23-7-6-14(10-23)9-21(4)16-15-13(3)20-22(5)17(15)19-11-18-16/h11-12,14H,6-10H2,1-5H3
InChIKeyQGDXBVVRBSJFMO-UHFFFAOYSA-N
XLogP2.09
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 56906371) is N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(N(C)CC3CCN(CC(C)C)C3)c12.
What is the InChIKey of N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QGDXBVVRBSJFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6/c1-12(2)8-23-7-6-14(10-23)9-21(4)16-15-13(3)20-22(5)17(15)19-11-18-16/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 316.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56906371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).