N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine

C20H21N5O — CID 58478387

IUPACN-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
SMILESc1ccc2ncc(Nc3ncnc4c3CN(CC3CCOC3)C4)cc2c1
InChIInChI=1S/C20H21N5O/c1-2-4-18-15(3-1)7-16(8-21-18)24-20-17-10-25(9-14-5-6-26-12-14)11-19(17)22-13-23-20/h1-4,7-8,13-14H,5-6,9-12H2,(H,22,23,24)
InChIKeyYGORJUPDMNFEEE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.12
Rot. Bonds4

About N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine

N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine (PubChem CID 58478387) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
PubChem CID58478387
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
SMILESc1ccc2ncc(Nc3ncnc4c3CN(CC3CCOC3)C4)cc2c1
InChIInChI=1S/C20H21N5O/c1-2-4-18-15(3-1)7-16(8-21-18)24-20-17-10-25(9-14-5-6-26-12-14)11-19(17)22-13-23-20/h1-4,7-8,13-14H,5-6,9-12H2,(H,22,23,24)
InChIKeyYGORJUPDMNFEEE-UHFFFAOYSA-N
XLogP3.12
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
CID 46213406
N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
CID 46196579
N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
CID 58478372
N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
CID 58478364
N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
CID 58478363
N-(6-pentan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
CID 91264858
2-(oxolan-3-yl)-1-quinolin-3-ylethanamine
CID 113362099
N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 46213030
6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42645484
N-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine;2,4-dimethyl-1,3-thiazole-5-carboxylic acid;(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 161497866
6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42644799
2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 62822959

Frequently Asked Questions

What is the IUPAC name of N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine (CID 58478387) is N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine is c1ccc2ncc(Nc3ncnc4c3CN(CC3CCOC3)C4)cc2c1.
What is the InChIKey of N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The InChIKey is YGORJUPDMNFEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-4-18-15(3-1)7-16(8-21-18)24-20-17-10-25(9-14-5-6-26-12-14)11-19(17)22-13-23-20/h1-4,7-8,13-14H,5-6,9-12H2,(H,22,23,24).
What are the key properties of N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine has a molecular weight of 347.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 58478387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).