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

C16H26N6 — CID 95871624

IUPACN,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(N(C)C[C@@H](C)CN3CCCC3)c12
InChIInChI=1S/C16H26N6/c1-12(10-22-7-5-6-8-22)9-20(3)15-14-13(2)19-21(4)16(14)18-11-17-15/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyUTRVBJIOHGXJEF-GFCCVEGCSA-N
MW302.43 g/mol
LogP1.84
Rot. Bonds5

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

N,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 95871624) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID95871624
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC NameN,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(N(C)C[C@@H](C)CN3CCCC3)c12
InChIInChI=1S/C16H26N6/c1-12(10-22-7-5-6-8-22)9-20(3)15-14-13(2)19-21(4)16(14)18-11-17-15/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyUTRVBJIOHGXJEF-GFCCVEGCSA-N
XLogP1.84
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.84
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-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 95871624) is N,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(N(C)C[C@@H](C)CN3CCCC3)c12.
What is the InChIKey of N,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UTRVBJIOHGXJEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N6/c1-12(10-22-7-5-6-8-22)9-20(3)15-14-13(2)19-21(4)16(14)18-11-17-15/h11-12H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of N,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine?
N,1,3-trimethyl-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 302.43 g/mol, XLogP of 1.84, 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-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95871624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).