N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine

C20H27N7O — CID 95873812

IUPACN,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccncc3)nc(N(C)C[C@H](C)N3CCOCC3)c12
InChIInChI=1S/C20H27N7O/c1-14(27-9-11-28-12-10-27)13-25(3)19-17-15(2)24-26(4)20(17)23-18(22-19)16-5-7-21-8-6-16/h5-8,14H,9-13H2,1-4H3/t14-/m0/s1
InChIKeyVMOAPIZXSYPKNP-AWEZNQCLSA-N
MW381.48 g/mol
LogP1.89
Rot. Bonds5

About N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine

N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 95873812) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID95873812
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC NameN,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccncc3)nc(N(C)C[C@H](C)N3CCOCC3)c12
InChIInChI=1S/C20H27N7O/c1-14(27-9-11-28-12-10-27)13-25(3)19-17-15(2)24-26(4)20(17)23-18(22-19)16-5-7-21-8-6-16/h5-8,14H,9-13H2,1-4H3/t14-/m0/s1
InChIKeyVMOAPIZXSYPKNP-AWEZNQCLSA-N
XLogP1.89
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 95873812) is N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1nn(C)c2nc(-c3ccncc3)nc(N(C)C[C@H](C)N3CCOCC3)c12.
What is the InChIKey of N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VMOAPIZXSYPKNP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N7O/c1-14(27-9-11-28-12-10-27)13-25(3)19-17-15(2)24-26(4)20(17)23-18(22-19)16-5-7-21-8-6-16/h5-8,14H,9-13H2,1-4H3/t14-/m0/s1.
What are the key properties of N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95873812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).