N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine

C20H26N6O — CID 95892267

IUPACN,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3cccnc3)nc(N(C)CC[C@H]3CCCCO3)c12
InChIInChI=1S/C20H26N6O/c1-14-17-19(25(2)11-9-16-8-4-5-12-27-16)22-18(15-7-6-10-21-13-15)23-20(17)26(3)24-14/h6-7,10,13,16H,4-5,8-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyJUUVVRJENVKLHN-MRXNPFEDSA-N
MW366.47 g/mol
LogP3.13
Rot. Bonds5

About N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine

N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 95892267) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID95892267
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3cccnc3)nc(N(C)CC[C@H]3CCCCO3)c12
InChIInChI=1S/C20H26N6O/c1-14-17-19(25(2)11-9-16-8-4-5-12-27-16)22-18(15-7-6-10-21-13-15)23-20(17)26(3)24-14/h6-7,10,13,16H,4-5,8-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyJUUVVRJENVKLHN-MRXNPFEDSA-N
XLogP3.13
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 95892267) is N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1nn(C)c2nc(-c3cccnc3)nc(N(C)CC[C@H]3CCCCO3)c12.
What is the InChIKey of N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JUUVVRJENVKLHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14-17-19(25(2)11-9-16-8-4-5-12-27-16)22-18(15-7-6-10-21-13-15)23-20(17)26(3)24-14/h6-7,10,13,16H,4-5,8-9,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95892267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).