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

C18H23N9O — CID 172904318

IUPACN-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ncnc3[nH]ncc23)C1
InChIInChI=1S/C18H23N9O/c1-25(15-2-4-19-18(23-15)26-6-8-28-9-7-26)13-3-5-27(11-13)17-14-10-22-24-16(14)20-12-21-17/h2,4,10,12-13H,3,5-9,11H2,1H3,(H,20,21,22,24)
InChIKeyRHAMXRDPLLORER-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.69
Rot. Bonds4

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

N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172904318) has the molecular formula C18H23N9O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172904318
Molecular FormulaC18H23N9O
Molecular Weight381.44 g/mol
Exact Mass381.20
IUPAC NameN-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ncnc3[nH]ncc23)C1
InChIInChI=1S/C18H23N9O/c1-25(15-2-4-19-18(23-15)26-6-8-28-9-7-26)13-3-5-27(11-13)17-14-10-22-24-16(14)20-12-21-17/h2,4,10,12-13H,3,5-9,11H2,1H3,(H,20,21,22,24)
InChIKeyRHAMXRDPLLORER-UHFFFAOYSA-N
XLogP0.69
TPSA99.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900137
N-[1-(6-cyclopropyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901980
4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 171998183
N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892228
N-methyl-N-[1-(6-methyl-2-pyridinyl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649208
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900263
N-methyl-2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901831
N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648749
2-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 172903029
5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172902390
N-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172903772
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902625

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 172904318) is N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is CN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ncnc3[nH]ncc23)C1.
What is the InChIKey of N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is RHAMXRDPLLORER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N9O/c1-25(15-2-4-19-18(23-15)26-6-8-28-9-7-26)13-3-5-27(11-13)17-14-10-22-24-16(14)20-12-21-17/h2,4,10,12-13H,3,5-9,11H2,1H3,(H,20,21,22,24).
What are the key properties of N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 381.44 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172904318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).